6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol

C13H10ClF3N2O — CID 79775734

IUPAC6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C13H10ClF3N2O/c14-8-1-4-12(11(5-8)13(15,16)17)19-6-9-2-3-10(20)7-18-9/h1-5,7,19-20H,6H2
InChIKeyNTGLVOMJDOZJSG-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.07
Rot. Bonds3

About 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol

6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol (PubChem CID 79775734) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
PubChem CID79775734
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)nc1
InChIInChI=1S/C13H10ClF3N2O/c14-8-1-4-12(11(5-8)13(15,16)17)19-6-9-2-3-10(20)7-18-9/h1-5,7,19-20H,6H2
InChIKeyNTGLVOMJDOZJSG-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
N-[(6-bromo-2-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 115937775
4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62742684
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
4-chloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110653614
4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 43662296
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28877405
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827

Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol (CID 79775734) is 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol is Oc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol?
The InChIKey is NTGLVOMJDOZJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-8-1-4-12(11(5-8)13(15,16)17)19-6-9-2-3-10(20)7-18-9/h1-5,7,19-20H,6H2.
What are the key properties of 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol?
6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol has a molecular weight of 302.68 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).