5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide

C14H12BrClN2O3 — CID 62954749

IUPAC5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(Br)cn2)cc1OC
InChIInChI=1S/C14H12BrClN2O3/c1-20-12-5-9(16)11(6-13(12)21-2)18-14(19)10-4-3-8(15)7-17-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJHVPVRIXHDRPFV-UHFFFAOYSA-N
MW371.62 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide

5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 62954749) has the molecular formula C14H12BrClN2O3 and a molecular weight of 371.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID62954749
Molecular FormulaC14H12BrClN2O3
Molecular Weight371.62 g/mol
Exact Mass369.97
IUPAC Name5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(Br)cn2)cc1OC
InChIInChI=1S/C14H12BrClN2O3/c1-20-12-5-9(16)11(6-13(12)21-2)18-14(19)10-4-3-8(15)7-17-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJHVPVRIXHDRPFV-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
N-(2-chloro-4,5-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 78969253
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 62954749) is 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(Cl)c(NC(=O)c2ccc(Br)cn2)cc1OC.
What is the InChIKey of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is JHVPVRIXHDRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3/c1-20-12-5-9(16)11(6-13(12)21-2)18-14(19)10-4-3-8(15)7-17-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide?
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 371.62 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62954749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).