[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol

C13H11ClFNO — CID 134530894

IUPAC[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol
SMILESCc1cc(-c2ccc(Cl)cc2CO)c(F)cn1
InChIInChI=1S/C13H11ClFNO/c1-8-4-12(13(15)6-16-8)11-3-2-10(14)5-9(11)7-17/h2-6,17H,7H2,1H3
InChIKeyAQNVSNNDQMZXCN-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.34
Rot. Bonds2

About [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol

[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol (PubChem CID 134530894) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol
PubChem CID134530894
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol
SMILESCc1cc(-c2ccc(Cl)cc2CO)c(F)cn1
InChIInChI=1S/C13H11ClFNO/c1-8-4-12(13(15)6-16-8)11-3-2-10(14)5-9(11)7-17/h2-6,17H,7H2,1H3
InChIKeyAQNVSNNDQMZXCN-UHFFFAOYSA-N
XLogP3.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol (CID 134530894) is [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol is Cc1cc(-c2ccc(Cl)cc2CO)c(F)cn1.
What is the InChIKey of [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol?
The InChIKey is AQNVSNNDQMZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-8-4-12(13(15)6-16-8)11-3-2-10(14)5-9(11)7-17/h2-6,17H,7H2,1H3.
What are the key properties of [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol?
[5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol has a molecular weight of 251.69 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methanol is sourced from PubChem (CID 134530894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).