(6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol

C12H9ClFNO — CID 3061983

IUPAC(6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9ClFNO/c13-11-6-3-9(7-15-11)12(16)8-1-4-10(14)5-2-8/h1-7,12,16H
InChIKeyWFNZDDQFMVDKTF-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.96
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol

(6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol (PubChem CID 3061983) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol
PubChem CID3061983
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name(6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9ClFNO/c13-11-6-3-9(7-15-11)12(16)8-1-4-10(14)5-2-8/h1-7,12,16H
InChIKeyWFNZDDQFMVDKTF-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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Related Compounds

Parinol
CID 28768
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Methyl-3-pyridinemethanol
CID 101192
alpha-Phenyl-4-pyridinemethanol
CID 98305
1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
(6-Chloropyridin-3-yl)methanol
CID 177161
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
Phenyl(pyridin-2-yl)methanol
CID 315585
(2-Chloropyridin-3-yl)methanol
CID 2763647
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473
(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11188910

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol?
The IUPAC name of (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol (CID 3061983) is (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol?
The InChIKey is WFNZDDQFMVDKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-11-6-3-9(7-15-11)12(16)8-1-4-10(14)5-2-8/h1-7,12,16H.
What are the key properties of (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol?
(6-chloro-3-pyridinyl)-(4-fluorophenyl)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 (6-chloro-3-pyridinyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 3061983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).