2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol

C13H11ClFNO — CID 123985232

IUPAC2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol
SMILESCc1cc(O)c(-c2ccc(F)c(Cl)c2)nc1C
InChIInChI=1S/C13H11ClFNO/c1-7-5-12(17)13(16-8(7)2)9-3-4-11(15)10(14)6-9/h3-6,17H,1-2H3
InChIKeyKCHCNXNQLLXHLD-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.86
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol

2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol (PubChem CID 123985232) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol
PubChem CID123985232
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol
SMILESCc1cc(O)c(-c2ccc(F)c(Cl)c2)nc1C
InChIInChI=1S/C13H11ClFNO/c1-7-5-12(17)13(16-8(7)2)9-3-4-11(15)10(14)6-9/h3-6,17H,1-2H3
InChIKeyKCHCNXNQLLXHLD-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol (CID 123985232) is 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol is Cc1cc(O)c(-c2ccc(F)c(Cl)c2)nc1C.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol?
The InChIKey is KCHCNXNQLLXHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-7-5-12(17)13(16-8(7)2)9-3-4-11(15)10(14)6-9/h3-6,17H,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol?
2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol has a molecular weight of 251.69 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5,6-dimethylpyridin-3-ol is sourced from PubChem (CID 123985232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).