4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid

C13H9Cl2N3O3 — CID 104742777

IUPAC4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-7-4-6(13(20)21)5-8(15)10(7)18-12(19)11-9(16)2-1-3-17-11/h1-5H,16H2,(H,18,19)(H,20,21)
InChIKeyXCAVJWZSEVYWLY-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.92
Rot. Bonds3

About 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid

4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid (PubChem CID 104742777) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
PubChem CID104742777
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-7-4-6(13(20)21)5-8(15)10(7)18-12(19)11-9(16)2-1-3-17-11/h1-5H,16H2,(H,18,19)(H,20,21)
InChIKeyXCAVJWZSEVYWLY-UHFFFAOYSA-N
XLogP2.92
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
3,5-dichloro-4-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 82812211
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
CID 154643103
CID 154643103
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid (CID 104742777) is 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid is Nc1cccnc1C(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid?
The InChIKey is XCAVJWZSEVYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-7-4-6(13(20)21)5-8(15)10(7)18-12(19)11-9(16)2-1-3-17-11/h1-5H,16H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid?
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid has a molecular weight of 326.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 104742777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).