2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

C12H6Cl3N3O3 — CID 63653226

IUPAC2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O3/c13-6-4-17-9(8(15)7(6)14)11(19)18-10-5(12(20)21)2-1-3-16-10/h1-4H,(H,20,21)(H,16,18,19)
InChIKeyYSFYDJAGWULCNM-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.39
Rot. Bonds3

About 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 63653226) has the molecular formula C12H6Cl3N3O3 and a molecular weight of 346.56 g/mol. Its IUPAC name is 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID63653226
Molecular FormulaC12H6Cl3N3O3
Molecular Weight346.56 g/mol
Exact Mass344.95
IUPAC Name2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl3N3O3/c13-6-4-17-9(8(15)7(6)14)11(19)18-10-5(12(20)21)2-1-3-16-10/h1-4H,(H,20,21)(H,16,18,19)
InChIKeyYSFYDJAGWULCNM-UHFFFAOYSA-N
XLogP3.39
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
3,4,5-trichloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 16549009
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-[(4-chloro-3-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 83165732
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 63653226) is 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YSFYDJAGWULCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3O3/c13-6-4-17-9(8(15)7(6)14)11(19)18-10-5(12(20)21)2-1-3-16-10/h1-4H,(H,20,21)(H,16,18,19).
What are the key properties of 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 346.56 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63653226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).