[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol

C12H9ClFNO — CID 118042447

IUPAC[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
SMILESOCc1cccc(-c2ncc(Cl)cc2F)c1
InChIInChI=1S/C12H9ClFNO/c13-10-5-11(14)12(15-6-10)9-3-1-2-8(4-9)7-16/h1-6,16H,7H2
InChIKeyKMKGIPPUZLITBD-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.03
Rot. Bonds2

About [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol

[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol (PubChem CID 118042447) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
PubChem CID118042447
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
SMILESOCc1cccc(-c2ncc(Cl)cc2F)c1
InChIInChI=1S/C12H9ClFNO/c13-10-5-11(14)12(15-6-10)9-3-1-2-8(4-9)7-16/h1-6,16H,7H2
InChIKeyKMKGIPPUZLITBD-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol?
The IUPAC name of [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol (CID 118042447) is [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol.
What is the SMILES notation for [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol?
The canonical SMILES for [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol is OCc1cccc(-c2ncc(Cl)cc2F)c1.
What is the InChIKey of [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol?
The InChIKey is KMKGIPPUZLITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-10-5-11(14)12(15-6-10)9-3-1-2-8(4-9)7-16/h1-6,16H,7H2.
What are the key properties of [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol?
[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol has a molecular weight of 237.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol is sourced from PubChem (CID 118042447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).