(3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol

C12H9BrFNO — CID 59824889

IUPAC(3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol
SMILESOC(c1cccc(Br)c1)c1ncccc1F
InChIInChI=1S/C12H9BrFNO/c13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15-11/h1-7,12,16H
InChIKeyYCBVYWHAPSTDRJ-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.06
Rot. Bonds2

About (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol

(3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol (PubChem CID 59824889) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol
PubChem CID59824889
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name(3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol
SMILESOC(c1cccc(Br)c1)c1ncccc1F
InChIInChI=1S/C12H9BrFNO/c13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15-11/h1-7,12,16H
InChIKeyYCBVYWHAPSTDRJ-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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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol?
The IUPAC name of (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol (CID 59824889) is (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol is OC(c1cccc(Br)c1)c1ncccc1F.
What is the InChIKey of (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol?
The InChIKey is YCBVYWHAPSTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-9-4-1-3-8(7-9)12(16)11-10(14)5-2-6-15-11/h1-7,12,16H.
What are the key properties of (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol?
(3-bromophenyl)-(3-fluoro-2-pyridinyl)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 (3-bromophenyl)-(3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 59824889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).