(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate

C13H9BrClNO2 — CID 66465143

IUPAC(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrClNO2/c14-12-6-5-9(7-16-12)13(17)18-8-10-3-1-2-4-11(10)15/h1-7H,8H2
InChIKeyHGGARHDYFWYZAH-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.85
Rot. Bonds3

About (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate

(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate (PubChem CID 66465143) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
PubChem CID66465143
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Br)nc1
InChIInChI=1S/C13H9BrClNO2/c14-12-6-5-9(7-16-12)13(17)18-8-10-3-1-2-4-11(10)15/h1-7H,8H2
InChIKeyHGGARHDYFWYZAH-UHFFFAOYSA-N
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
CID 82824568
(2-chlorophenyl)methyl 3-amino-4-fluorobenzoate
CID 61277657
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
(2-chlorophenyl)methyl 4-chloropyridine-2-carboxylate
CID 60630389
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428769
(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63840334
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557893

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate (CID 66465143) is (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate is O=C(OCc1ccccc1Cl)c1ccc(Br)nc1.
What is the InChIKey of (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate?
The InChIKey is HGGARHDYFWYZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-12-6-5-9(7-16-12)13(17)18-8-10-3-1-2-4-11(10)15/h1-7H,8H2.
What are the key properties of (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate?
(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate has a molecular weight of 326.58 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate is sourced from PubChem (CID 66465143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).