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

C12H8ClF2NO — CID 57184642

IUPAC[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NO/c13-11-4-1-7(6-17)12(16-11)9-3-2-8(14)5-10(9)15/h1-5,17H,6H2
InChIKeyABVRQNPNPYZMKC-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.17
Rot. Bonds2

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

[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol (PubChem CID 57184642) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
PubChem CID57184642
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1ccc(F)cc1F
InChIInChI=1S/C12H8ClF2NO/c13-11-4-1-7(6-17)12(16-11)9-3-2-8(14)5-10(9)15/h1-5,17H,6H2
InChIKeyABVRQNPNPYZMKC-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.17
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-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol (CID 57184642) is [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol is OCc1ccc(Cl)nc1-c1ccc(F)cc1F.
What is the InChIKey of [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
The InChIKey is ABVRQNPNPYZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-11-4-1-7(6-17)12(16-11)9-3-2-8(14)5-10(9)15/h1-5,17H,6H2.
What are the key properties of [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol?
[6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol has a molecular weight of 255.65 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(2,4-difluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 57184642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).