methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate

C14H10BrClN2O3 — CID 107518080

IUPACmethyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H10BrClN2O3/c1-21-14(20)8-4-5-10(16)11(7-8)18-13(19)12-9(15)3-2-6-17-12/h2-7H,1H3,(H,18,19)
InChIKeyZNWUIOCIHABDIC-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.54
Rot. Bonds3

About methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate

methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate (PubChem CID 107518080) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
PubChem CID107518080
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Namemethyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H10BrClN2O3/c1-21-14(20)8-4-5-10(16)11(7-8)18-13(19)12-9(15)3-2-6-17-12/h2-7H,1H3,(H,18,19)
InChIKeyZNWUIOCIHABDIC-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

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Related Compounds

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
methyl 4-chloro-3-[[4-(3-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109219178
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate (CID 107518080) is methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ncccc2Br)c1.
What is the InChIKey of methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate?
The InChIKey is ZNWUIOCIHABDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-21-14(20)8-4-5-10(16)11(7-8)18-13(19)12-9(15)3-2-6-17-12/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate?
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-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 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 107518080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).