(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol

C12H7BrClF2NO — CID 23114659

IUPAC(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)c1cc(Br)ncc1Cl
InChIInChI=1S/C12H7BrClF2NO/c13-11-4-7(9(14)5-17-11)12(18)8-3-6(15)1-2-10(8)16/h1-5,12,18H
InChIKeyLBPBOKQMHXVGAS-UHFFFAOYSA-N
MW334.55 g/mol
LogP3.86
Rot. Bonds2

About (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol

(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol (PubChem CID 23114659) has the molecular formula C12H7BrClF2NO and a molecular weight of 334.55 g/mol. Its IUPAC name is (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
PubChem CID23114659
Molecular FormulaC12H7BrClF2NO
Molecular Weight334.55 g/mol
Exact Mass332.94
IUPAC Name(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)c1cc(Br)ncc1Cl
InChIInChI=1S/C12H7BrClF2NO/c13-11-4-7(9(14)5-17-11)12(18)8-3-6(15)1-2-10(8)16/h1-5,12,18H
InChIKeyLBPBOKQMHXVGAS-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 53.86
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

(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2,5-difluorophenyl)-quinolin-4-ylmethanol
CID 63893789
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(1R)-1-(2-bromo-5-chloro-4-pyridinyl)ethanamine
CID 131014131

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The IUPAC name of (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol (CID 23114659) is (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol.
What is the SMILES notation for (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The canonical SMILES for (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol is OC(c1cc(F)ccc1F)c1cc(Br)ncc1Cl.
What is the InChIKey of (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
The InChIKey is LBPBOKQMHXVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO/c13-11-4-7(9(14)5-17-11)12(18)8-3-6(15)1-2-10(8)16/h1-5,12,18H.
What are the key properties of (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol?
(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol has a molecular weight of 334.55 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 23114659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).