(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol

C13H11BrFNO — CID 115796740

IUPAC(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H11BrFNO/c1-8-2-3-9(7-16-8)13(17)11-5-4-10(15)6-12(11)14/h2-7,13,17H,1H3
InChIKeyLXSBHSWFIZAEEV-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.37
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol

(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 115796740) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
PubChem CID115796740
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H11BrFNO/c1-8-2-3-9(7-16-8)13(17)11-5-4-10(15)6-12(11)14/h2-7,13,17H,1H3
InChIKeyLXSBHSWFIZAEEV-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305489
(2-bromo-4-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257836
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 105096887
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
(6-methyl-3-pyridinyl)-(2-methylsulfanylphenyl)methanol
CID 115796738
(2,6-difluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 63893537
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol
CID 115826640

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol (CID 115796740) is (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is LXSBHSWFIZAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-8-2-3-9(7-16-8)13(17)11-5-4-10(15)6-12(11)14/h2-7,13,17H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol?
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 296.14 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115796740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).