2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid

C13H10ClN3O4 — CID 60749367

IUPAC2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
SMILESCn1nc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1=O
InChIInChI=1S/C13H10ClN3O4/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(6-7)13(20)21/h2-6H,1H3,(H,15,19)(H,20,21)
InChIKeyRFSLXAHSCUBYSF-UHFFFAOYSA-N
MW307.69 g/mol
LogP1.38
Rot. Bonds3

About 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid

2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid (PubChem CID 60749367) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
PubChem CID60749367
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
SMILESCn1nc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1=O
InChIInChI=1S/C13H10ClN3O4/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(6-7)13(20)21/h2-6H,1H3,(H,15,19)(H,20,21)
InChIKeyRFSLXAHSCUBYSF-UHFFFAOYSA-N
XLogP1.38
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 43172077
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55727357
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55647641
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
1-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 17398568
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid (CID 60749367) is 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid is Cn1nc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1=O.
What is the InChIKey of 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The InChIKey is RFSLXAHSCUBYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-17-11(18)5-4-10(16-17)12(19)15-7-2-3-9(14)8(6-7)13(20)21/h2-6H,1H3,(H,15,19)(H,20,21).
What are the key properties of 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid has a molecular weight of 307.69 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60749367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).