(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol

C12H9ClFNO — CID 146466291

IUPAC(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cccc(F)n1
InChIInChI=1S/C12H9ClFNO/c13-9-6-4-8(5-7-9)12(16)10-2-1-3-11(14)15-10/h1-7,12,16H
InChIKeyPFPRYDZVKRPPTR-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.96
Rot. Bonds2

About (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol

(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol (PubChem CID 146466291) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
PubChem CID146466291
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cccc(F)n1
InChIInChI=1S/C12H9ClFNO/c13-9-6-4-8(5-7-9)12(16)10-2-1-3-11(14)15-10/h1-7,12,16H
InChIKeyPFPRYDZVKRPPTR-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol?
The IUPAC name of (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol (CID 146466291) is (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol is OC(c1ccc(Cl)cc1)c1cccc(F)n1.
What is the InChIKey of (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol?
The InChIKey is PFPRYDZVKRPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-9-6-4-8(5-7-9)12(16)10-2-1-3-11(14)15-10/h1-7,12,16H.
What are the key properties of (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol?
(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol has a molecular weight of 237.66 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 146466291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).