5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid

C10H7ClN4O4 — CID 114194120

IUPAC5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
SMILESCc1nn(-c2cnc([N+](=O)[O-])cc2C(=O)O)cc1Cl
InChIInChI=1S/C10H7ClN4O4/c1-5-7(11)4-14(13-5)8-3-12-9(15(18)19)2-6(8)10(16)17/h2-4H,1H3,(H,16,17)
InChIKeyRBLOZFQSGNWNEC-UHFFFAOYSA-N
MW282.64 g/mol
LogP1.84
Rot. Bonds3

About 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid

5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid (PubChem CID 114194120) has the molecular formula C10H7ClN4O4 and a molecular weight of 282.64 g/mol. Its IUPAC name is 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
PubChem CID114194120
Molecular FormulaC10H7ClN4O4
Molecular Weight282.64 g/mol
Exact Mass282.02
IUPAC Name5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
SMILESCc1nn(-c2cnc([N+](=O)[O-])cc2C(=O)O)cc1Cl
InChIInChI=1S/C10H7ClN4O4/c1-5-7(11)4-14(13-5)8-3-12-9(15(18)19)2-6(8)10(16)17/h2-4H,1H3,(H,16,17)
InChIKeyRBLOZFQSGNWNEC-UHFFFAOYSA-N
XLogP1.84
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
CID 114194117
4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81230310
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
(1R)-1-[4-(4-chloro-3-methylpyrazol-1-yl)-3-nitrophenyl]ethanol
CID 78993862
5-chloro-4-methyl-2-nitropyridine
CID 77230639
4-amino-3-(4-chloro-3-methylpyrazol-1-yl)benzoic acid
CID 82795748
5-[cyclopropyl(ethyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194423
1-(3-bromo-5-nitro-2-pyridinyl)-3-methylpyrazole-4-carboxylic acid
CID 79523815
ethyl 4-chloro-6-nitropyridine-3-carboxylate
CID 133097798
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107186596
4-methyl-2-(3-nitropyrazol-1-yl)benzoic acid
CID 55107664
5-[(2-methoxy-2-methylpropyl)amino]-2-nitropyridine-4-carboxylic acid
CID 114194513

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid (CID 114194120) is 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid is Cc1nn(-c2cnc([N+](=O)[O-])cc2C(=O)O)cc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid?
The InChIKey is RBLOZFQSGNWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O4/c1-5-7(11)4-14(13-5)8-3-12-9(15(18)19)2-6(8)10(16)17/h2-4H,1H3,(H,16,17).
What are the key properties of 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid?
5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid has a molecular weight of 282.64 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114194120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).