methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate

C14H10BrClN2O3 — CID 66462125

IUPACmethyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H10BrClN2O3/c1-21-14(20)10-6-9(16)3-4-11(10)18-13(19)8-2-5-12(15)17-7-8/h2-7H,1H3,(H,18,19)
InChIKeyMSGIEQIQPRJNFC-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.54
Rot. Bonds3

About methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate

methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate (PubChem CID 66462125) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
PubChem CID66462125
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Namemethyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H10BrClN2O3/c1-21-14(20)10-6-9(16)3-4-11(10)18-13(19)8-2-5-12(15)17-7-8/h2-7H,1H3,(H,18,19)
InChIKeyMSGIEQIQPRJNFC-UHFFFAOYSA-N
XLogP3.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-chlorobenzoate
CID 47249749
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
CID 66462301
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
6-bromo-N-(2,4,6-trichlorophenyl)pyridine-3-carboxamide
CID 66462095
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 66462513
N-(2-bromo-4-chlorophenyl)-6-fluoropyridine-3-carboxamide
CID 81028299
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate (CID 66462125) is methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate?
The InChIKey is MSGIEQIQPRJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-21-14(20)10-6-9(16)3-4-11(10)18-13(19)8-2-5-12(15)17-7-8/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate?
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate has a molecular weight of 369.60 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate is sourced from PubChem (CID 66462125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).