[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol

C13H9ClF3NO — CID 134625763

IUPAC[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H9ClF3NO/c14-11-6-5-10(7-19)18-12(11)8-1-3-9(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyMTCMVEQXJSXMEN-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.91
Rot. Bonds2

About [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol

[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol (PubChem CID 134625763) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
PubChem CID134625763
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H9ClF3NO/c14-11-6-5-10(7-19)18-12(11)8-1-3-9(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyMTCMVEQXJSXMEN-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089786
[6-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 133095051
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706
[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
CID 134227733
[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methanol
CID 66806394
[5-bromo-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methanol
CID 70981004
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
4-chloro-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 57070349
[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636257
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol (CID 134625763) is [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol is OCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The InChIKey is MTCMVEQXJSXMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-11-6-5-10(7-19)18-12(11)8-1-3-9(4-2-8)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol has a molecular weight of 287.67 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 134625763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).