[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol

C13H7ClF5NO — CID 106971514

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7ClF5NO/c14-12-7(2-4-10(20-12)13(17,18)19)11(21)6-1-3-8(15)9(16)5-6/h1-5,11,21H
InChIKeyJIBXZXAZDKHYAN-UHFFFAOYSA-N
MW323.65 g/mol
LogP4.11
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol (PubChem CID 106971514) has the molecular formula C13H7ClF5NO and a molecular weight of 323.65 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
PubChem CID106971514
Molecular FormulaC13H7ClF5NO
Molecular Weight323.65 g/mol
Exact Mass323.01
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H7ClF5NO/c14-12-7(2-4-10(20-12)13(17,18)19)11(21)6-1-3-8(15)9(16)5-6/h1-5,11,21H
InChIKeyJIBXZXAZDKHYAN-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 54.11
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

(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
(4-bromo-5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971715
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
CID 106971722
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
2-chloro-1-(3,4-difluorophenyl)-2,2-difluoroethanol
CID 112575331

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol (CID 106971514) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol?
The InChIKey is JIBXZXAZDKHYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5NO/c14-12-7(2-4-10(20-12)13(17,18)19)11(21)6-1-3-8(15)9(16)5-6/h1-5,11,21H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol has a molecular weight of 323.65 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 106971514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).