(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol

C13H11ClF2N2O — CID 115527838

IUPAC(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
SMILESNc1ncc(Cl)cc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-5-10(13(17)18-6-9)11(19)7-2-1-3-8(4-7)12(15)16/h1-6,11-12,19H,(H2,17,18)
InChIKeyXQEOCBIQQAILEL-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.34
Rot. Bonds3

About (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol

(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol (PubChem CID 115527838) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
PubChem CID115527838
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
SMILESNc1ncc(Cl)cc1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-5-10(13(17)18-6-9)11(19)7-2-1-3-8(4-7)12(15)16/h1-6,11-12,19H,(H2,17,18)
InChIKeyXQEOCBIQQAILEL-UHFFFAOYSA-N
XLogP3.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
CID 81447194
(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
CID 115527804
5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
CID 105199320
[3-(difluoromethyl)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 115527738
(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
CID 65362465
(2-amino-5-chloro-3-pyridinyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790898
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol (CID 115527838) is (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol is Nc1ncc(Cl)cc1C(O)c1cccc(C(F)F)c1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The InChIKey is XQEOCBIQQAILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c14-9-5-10(13(17)18-6-9)11(19)7-2-1-3-8(4-7)12(15)16/h1-6,11-12,19H,(H2,17,18).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol has a molecular weight of 284.69 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol is sourced from PubChem (CID 115527838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).