(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol

C12H8BrF2NO — CID 115606173

IUPAC(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrF2NO/c13-8-2-4-11(16-6-8)12(17)7-1-3-9(14)10(15)5-7/h1-6,12,17H
InChIKeyILKJNUXGTAZCNS-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.20
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol

(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol (PubChem CID 115606173) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
PubChem CID115606173
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrF2NO/c13-8-2-4-11(16-6-8)12(17)7-1-3-9(14)10(15)5-7/h1-6,12,17H
InChIKeyILKJNUXGTAZCNS-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 115606169
(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
CID 104737732
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107289316
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
5-bromopyridine-2-carbaldehyde;(5-bromo-2-pyridinyl)-phenylmethanol
CID 160603404
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 79780694

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol (CID 115606173) is (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol?
The InChIKey is ILKJNUXGTAZCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-8-2-4-11(16-6-8)12(17)7-1-3-9(14)10(15)5-7/h1-6,12,17H.
What are the key properties of (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol?
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol has a molecular weight of 300.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 115606173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).