Cas no 1012878-95-3 (6-chloro-4-(phenylamino)-3-Pyridinemethanol)
1012878-95-3 structure
Product Name:6-chloro-4-(phenylamino)-3-Pyridinemethanol
CAS No:1012878-95-3
MF:C12H11ClN2O
MW:234.68154168129
CID:2108152
Update Time:2023-11-19
6-chloro-4-(phenylamino)-3-Pyridinemethanol Chemical and Physical Properties
Names and Identifiers
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- 6-chloro-4-(phenylamino)-3-Pyridinemethanol
- ISLHXDMXTFQHTF-UHFFFAOYSA-N
- (6-chloro-4-phenylamino-pyridin-3-yl)-methanol
- (6-chloro-4-(phenylamino)pyridin-3-yl)methanol
- CID 86620159
- 3-Pyridinemethanol, 6-chloro-4-(phenylamino)-
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- Inchi： 1S/C12H11ClN2O/c13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10/h1-7,16H,8H2,(H,14,15)
- InChI Key： ISLHXDMXTFQHTF-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=N1)CO)NC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 209
- Topological Polar Surface Area: 45.2
Experimental Properties
- Density: 1.345±0.06 g/cm3(Predicted)
- Boiling Point: 407.2±45.0 °C(Predicted)
- pka: 12.93±0.10(Predicted)
6-chloro-4-(phenylamino)-3-Pyridinemethanol Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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