(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol

C13H11BrClNO — CID 114269012

IUPAC(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol
SMILESCc1cccnc1C(O)c1c(Cl)cccc1Br
InChIInChI=1S/C13H11BrClNO/c1-8-4-3-7-16-12(8)13(17)11-9(14)5-2-6-10(11)15/h2-7,13,17H,1H3
InChIKeyVRLFSVCJAXNNFJ-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.89
Rot. Bonds2

About (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol

(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol (PubChem CID 114269012) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol
PubChem CID114269012
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name(2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol
SMILESCc1cccnc1C(O)c1c(Cl)cccc1Br
InChIInChI=1S/C13H11BrClNO/c1-8-4-3-7-16-12(8)13(17)11-9(14)5-2-6-10(11)15/h2-7,13,17H,1H3
InChIKeyVRLFSVCJAXNNFJ-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-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114268979
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
CID 107560175
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
(3-chloro-2-pyridinyl)-(2-methylthiophen-3-yl)methanol
CID 103443385
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
CID 167169300
(3-chloro-2-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103443462
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
CID 105110557
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
CID 130968340
(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
CID 103443403

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol?
The IUPAC name of (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol (CID 114269012) is (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol?
The canonical SMILES for (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol is Cc1cccnc1C(O)c1c(Cl)cccc1Br.
What is the InChIKey of (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol?
The InChIKey is VRLFSVCJAXNNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-4-3-7-16-12(8)13(17)11-9(14)5-2-6-10(11)15/h2-7,13,17H,1H3.
What are the key properties of (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol?
(2-bromo-6-chlorophenyl)-(3-methyl-2-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 (2-bromo-6-chlorophenyl)-(3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 114269012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).