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

C14H12ClF3N2O — CID 79156354

IUPAC2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N2O/c1-8-2-5-13(21)12(20-8)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h2-6,19,21H,7H2,1H3
InChIKeyRDEQTCWAIGBXSH-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.38
Rot. Bonds3

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

2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol (PubChem CID 79156354) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol
PubChem CID79156354
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N2O/c1-8-2-5-13(21)12(20-8)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h2-6,19,21H,7H2,1H3
InChIKeyRDEQTCWAIGBXSH-UHFFFAOYSA-N
XLogP4.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol (CID 79156354) is 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is RDEQTCWAIGBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-8-2-5-13(21)12(20-8)7-19-9-3-4-11(15)10(6-9)14(16,17)18/h2-6,19,21H,7H2,1H3.
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol?
2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 316.71 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79156354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).