[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol

C12H9ClFNO — CID 57239022

IUPAC[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO/c13-11-6-3-9(7-16)12(15-11)8-1-4-10(14)5-2-8/h1-6,16H,7H2
InChIKeyWPKSVEOEOMHXTQ-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.03
Rot. Bonds2

About [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol

[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol (PubChem CID 57239022) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol
PubChem CID57239022
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H9ClFNO/c13-11-6-3-9(7-16)12(15-11)8-1-4-10(14)5-2-8/h1-6,16H,7H2
InChIKeyWPKSVEOEOMHXTQ-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

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 [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol (CID 57239022) is [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol is OCc1ccc(Cl)nc1-c1ccc(F)cc1.
What is the InChIKey of [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol?
The InChIKey is WPKSVEOEOMHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-11-6-3-9(7-16)12(15-11)8-1-4-10(14)5-2-8/h1-6,16H,7H2.
What are the key properties of [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol?
[6-chloro-2-(4-fluorophenyl)-3-pyridinyl]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 [6-chloro-2-(4-fluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 57239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).