6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol

C12H7ClF3NO — CID 119008086

IUPAC6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cnc(Cl)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3NO/c13-11-5-9(10(18)6-17-11)7-1-3-8(4-2-7)12(14,15)16/h1-6,18H
InChIKeyIINOBURPIZEXPS-UHFFFAOYSA-N
MW273.64 g/mol
LogP4.13
Rot. Bonds1

About 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol

6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 119008086) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID119008086
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESOc1cnc(Cl)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3NO/c13-11-5-9(10(18)6-17-11)7-1-3-8(4-2-7)12(14,15)16/h1-6,18H
InChIKeyIINOBURPIZEXPS-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
6-chloro-8-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 89429140
2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
CID 145313593
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
CID 175417791
2-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091895
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamide
CID 23502783
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol?
The IUPAC name of 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol (CID 119008086) is 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol is Oc1cnc(Cl)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is IINOBURPIZEXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-11-5-9(10(18)6-17-11)7-1-3-8(4-2-7)12(14,15)16/h1-6,18H.
What are the key properties of 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol?
6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 273.64 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 119008086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).