(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone

C12H7ClFNO2 — CID 19701611

IUPAC(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C12H7ClFNO2/c13-8-6-11(16)7(5-9(8)14)12(17)10-3-1-2-4-15-10/h1-6,16H
InChIKeyYMQMZWWUMFVMMA-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.81
Rot. Bonds2

About (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone

(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone (PubChem CID 19701611) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone
PubChem CID19701611
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(F)c(Cl)cc1O
InChIInChI=1S/C12H7ClFNO2/c13-8-6-11(16)7(5-9(8)14)12(17)10-3-1-2-4-15-10/h1-6,16H
InChIKeyYMQMZWWUMFVMMA-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone (CID 19701611) is (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc(F)c(Cl)cc1O.
What is the InChIKey of (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone?
The InChIKey is YMQMZWWUMFVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-8-6-11(16)7(5-9(8)14)12(17)10-3-1-2-4-15-10/h1-6,16H.
What are the key properties of (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone?
(4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone has a molecular weight of 251.64 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-hydroxyphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 19701611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).