(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol

C12H9BrFNO — CID 112732851

IUPAC(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C12H9BrFNO/c13-10-5-9(6-15-7-10)12(16)8-1-3-11(14)4-2-8/h1-7,12,16H
InChIKeyFEPQSRHOIHJFHD-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.06
Rot. Bonds2

About (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol

(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol (PubChem CID 112732851) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol
PubChem CID112732851
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C12H9BrFNO/c13-10-5-9(6-15-7-10)12(16)8-1-3-11(14)4-2-8/h1-7,12,16H
InChIKeyFEPQSRHOIHJFHD-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

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Related Compounds

(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
CID 113456105
(4-fluorophenyl)-pyridazin-4-ylmethanol
CID 105077226
1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482882
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105080356

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol (CID 112732851) is (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol?
The InChIKey is FEPQSRHOIHJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-10-5-9(6-15-7-10)12(16)8-1-3-11(14)4-2-8/h1-7,12,16H.
What are the key properties of (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol?
(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol 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 (5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 112732851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).