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

C13H11BrClNO2 — CID 114268979

IUPAC(2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cccc2Br)cn1
InChIInChI=1S/C13H11BrClNO2/c1-18-11-6-5-8(7-16-11)13(17)12-9(14)3-2-4-10(12)15/h2-7,13,17H,1H3
InChIKeyWFJIGJUCOBCDJZ-UHFFFAOYSA-N
MW328.59 g/mol
LogP3.59
Rot. Bonds3

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

(2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol (PubChem CID 114268979) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol
PubChem CID114268979
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name(2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)cccc2Br)cn1
InChIInChI=1S/C13H11BrClNO2/c1-18-11-6-5-8(7-16-11)13(17)12-9(14)3-2-4-10(12)15/h2-7,13,17H,1H3
InChIKeyWFJIGJUCOBCDJZ-UHFFFAOYSA-N
XLogP3.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol (CID 114268979) is (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol is COc1ccc(C(O)c2c(Cl)cccc2Br)cn1.
What is the InChIKey of (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol?
The InChIKey is WFJIGJUCOBCDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-18-11-6-5-8(7-16-11)13(17)12-9(14)3-2-4-10(12)15/h2-7,13,17H,1H3.
What are the key properties of (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol?
(2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol has a molecular weight of 328.59 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chlorophenyl)-(6-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 114268979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).