6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid

C7H6ClN3O4 — CID 165170507

IUPAC6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H6ClN3O4/c1-9-3-2-4(7(12)13)10-6(8)5(3)11(14)15/h2H,1H3,(H,9,10)(H,12,13)
InChIKeyBPFPMOFJKXECJV-UHFFFAOYSA-N
MW231.59 g/mol
LogP1.38
Rot. Bonds3

About 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid

6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid (PubChem CID 165170507) has the molecular formula C7H6ClN3O4 and a molecular weight of 231.59 g/mol. Its IUPAC name is 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid
PubChem CID165170507
Molecular FormulaC7H6ClN3O4
Molecular Weight231.59 g/mol
Exact Mass231.00
IUPAC Name6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H6ClN3O4/c1-9-3-2-4(7(12)13)10-6(8)5(3)11(14)15/h2H,1H3,(H,9,10)(H,12,13)
InChIKeyBPFPMOFJKXECJV-UHFFFAOYSA-N
XLogP1.38
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.59
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
CID 71414970
4-chloro-3,5-difluoro-N-methyl-2-nitroaniline
CID 122497392
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
methyl 2-(2,6-dichloro-3-nitro-4-pyridinyl)acetate
CID 87452513
6-hydroxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84683457
N-benzyl-2-chloro-6-methyl-3-nitropyridin-4-amine
CID 22034114
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
CID 59529888
CID 59529888
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
1-(2,6-dichloro-5-nitropyrimidin-4-yl)ethanone
CID 118969676
1,3-dichloro-4-nitroisoquinoline
CID 163932905
dimethyl 2-[6-chloro-3-nitro-4-(trideuteriomethylamino)-2-pyridinyl]propanedioate
CID 177200291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid (CID 165170507) is 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid is CNc1cc(C(=O)O)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid?
The InChIKey is BPFPMOFJKXECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O4/c1-9-3-2-4(7(12)13)10-6(8)5(3)11(14)15/h2H,1H3,(H,9,10)(H,12,13).
What are the key properties of 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid?
6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid has a molecular weight of 231.59 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 6-chloro-4-(methylamino)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 165170507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).