(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol

C12H9BrFNO — CID 86730391

IUPAC(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C12H9BrFNO/c13-9-5-3-4-8(11(9)14)12(16)10-6-1-2-7-15-10/h1-7,12,16H
InChIKeyKXEHWWVQAIGOBV-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.06
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol

(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol (PubChem CID 86730391) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
PubChem CID86730391
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cccc(Br)c1F
InChIInChI=1S/C12H9BrFNO/c13-9-5-3-4-8(11(9)14)12(16)10-6-1-2-7-15-10/h1-7,12,16H
InChIKeyKXEHWWVQAIGOBV-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
(3-fluoro-2-methyl-4-pyridinyl)-pyridin-2-ylmethanol
CID 141423711
1-(3-bromo-2-fluorophenyl)-2-pyridin-2-ylethanol
CID 106645019
(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 86730392
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
CID 106648410
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol (CID 86730391) is (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol is OC(c1ccccn1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol?
The InChIKey is KXEHWWVQAIGOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-9-5-3-4-8(11(9)14)12(16)10-6-1-2-7-15-10/h1-7,12,16H.
What are the key properties of (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol?
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol has a molecular weight of 282.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol is sourced from PubChem (CID 86730391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).