(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate

C13H8BrCl2NO2 — CID 62736574

IUPAC(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H8BrCl2NO2/c14-9-5-11(12(16)17-6-9)13(18)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2
InChIKeyZTMUVGLSTMGFGO-UHFFFAOYSA-N
MW361.02 g/mol
LogP4.51
Rot. Bonds3

About (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate

(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate (PubChem CID 62736574) has the molecular formula C13H8BrCl2NO2 and a molecular weight of 361.02 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
PubChem CID62736574
Molecular FormulaC13H8BrCl2NO2
Molecular Weight361.02 g/mol
Exact Mass358.91
IUPAC Name(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H8BrCl2NO2/c14-9-5-11(12(16)17-6-9)13(18)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2
InChIKeyZTMUVGLSTMGFGO-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.02
LogP ≤ 54.51
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

thiophen-2-ylmethyl 5-bromo-2-chloropyridine-3-carboxylate
CID 62867303
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
(3-chlorophenyl)methyl 2-bromo-5-sulfanylbenzoate
CID 107018861
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
3,3-dimethylbutyl 5-bromo-2-chloropyridine-3-carboxylate
CID 62736938
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate (CID 62736574) is (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate is O=C(OCc1cccc(Cl)c1)c1cc(Br)cnc1Cl.
What is the InChIKey of (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate?
The InChIKey is ZTMUVGLSTMGFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO2/c14-9-5-11(12(16)17-6-9)13(18)19-7-8-2-1-3-10(15)4-8/h1-6H,7H2.
What are the key properties of (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate?
(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate has a molecular weight of 361.02 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate is sourced from PubChem (CID 62736574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).