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

C14H12BrClN2O3 — CID 107517707

IUPAC3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ncccc2Br)c(OC)cc1Cl
InChIInChI=1S/C14H12BrClN2O3/c1-20-11-7-10(12(21-2)6-9(11)16)18-14(19)13-8(15)4-3-5-17-13/h3-7H,1-2H3,(H,18,19)
InChIKeyUTLIQDUZSNZGIQ-UHFFFAOYSA-N
MW371.62 g/mol
LogP3.77
Rot. Bonds4

About 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 107517707) has the molecular formula C14H12BrClN2O3 and a molecular weight of 371.62 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID107517707
Molecular FormulaC14H12BrClN2O3
Molecular Weight371.62 g/mol
Exact Mass369.97
IUPAC Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2ncccc2Br)c(OC)cc1Cl
InChIInChI=1S/C14H12BrClN2O3/c1-20-11-7-10(12(21-2)6-9(11)16)18-14(19)13-8(15)4-3-5-17-13/h3-7H,1-2H3,(H,18,19)
InChIKeyUTLIQDUZSNZGIQ-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

3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 55330294
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide (CID 107517707) is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2ncccc2Br)c(OC)cc1Cl.
What is the InChIKey of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is UTLIQDUZSNZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3/c1-20-11-7-10(12(21-2)6-9(11)16)18-14(19)13-8(15)4-3-5-17-13/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide?
3-bromo-N-(4-chloro-2,5-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 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).