(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol

C13H11BrClNO — CID 115796759

IUPAC(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C13H11BrClNO/c1-8-2-3-10(7-16-8)13(17)9-4-5-11(14)12(15)6-9/h2-7,13,17H,1H3
InChIKeyUCFOZKLSXNBFHL-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.89
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol

(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 115796759) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
PubChem CID115796759
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C13H11BrClNO/c1-8-2-3-10(7-16-8)13(17)9-4-5-11(14)12(15)6-9/h2-7,13,17H,1H3
InChIKeyUCFOZKLSXNBFHL-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823118
(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
CID 115800192
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796740
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(6-methyl-3-pyridinyl)methanol
CID 63893331
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol (CID 115796759) is (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is UCFOZKLSXNBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-2-3-10(7-16-8)13(17)9-4-5-11(14)12(15)6-9/h2-7,13,17H,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol?
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 312.59 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115796759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).