5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid

C13H10ClN3O4 — CID 104669440

IUPAC5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
SMILESCOc1cc(NC(=O)c2ccnnc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H10ClN3O4/c1-21-11-5-10(9(14)4-8(11)13(19)20)17-12(18)7-2-3-15-16-6-7/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyHCWWSRKGFDGEBN-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid

5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid (PubChem CID 104669440) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
PubChem CID104669440
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
SMILESCOc1cc(NC(=O)c2ccnnc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H10ClN3O4/c1-21-11-5-10(9(14)4-8(11)13(19)20)17-12(18)7-2-3-15-16-6-7/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyHCWWSRKGFDGEBN-UHFFFAOYSA-N
XLogP2.09
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
CID 43406221
5-chloro-4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-2-methoxybenzoic acid
CID 108804649
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-chloro-2-methoxybenzoic acid
CID 62792658

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid (CID 104669440) is 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid is COc1cc(NC(=O)c2ccnnc2)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid?
The InChIKey is HCWWSRKGFDGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c1-21-11-5-10(9(14)4-8(11)13(19)20)17-12(18)7-2-3-15-16-6-7/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid?
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid has a molecular weight of 307.69 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 104669440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).