(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol

C13H11BrClNO — CID 115827983

IUPAC(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H11BrClNO/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7,13,17H,1H3
InChIKeyUNDJZHYRGLXBCK-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.89
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol

(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 115827983) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
PubChem CID115827983
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H11BrClNO/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7,13,17H,1H3
InChIKeyUNDJZHYRGLXBCK-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

(2-chloro-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 105397694
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(2-chlorofuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 106693944
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
CID 63747683
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol (CID 115827983) is (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is UNDJZHYRGLXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-4-9(7-16-6-8)13(17)11-5-10(14)2-3-12(11)15/h2-7,13,17H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol?
(5-bromo-2-chlorophenyl)-(5-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 (5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115827983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).