4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid

C11H10ClN3O4 — CID 174359851

IUPAC4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.C5H6N2O2/c7-4-1-2-8-5(3-4)6(9)10;1-3-2-4(5(8)9)7-6-3/h1-3H,(H,9,10);2H,1H3,(H,6,7)(H,8,9)
InChIKeyHLMQUNWERHAPJW-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.85
Rot. Bonds2

About 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid

4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 174359851) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID174359851
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n[nH]1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C6H4ClNO2.C5H6N2O2/c7-4-1-2-8-5(3-4)6(9)10;1-3-2-4(5(8)9)7-6-3/h1-3H,(H,9,10);2H,1H3,(H,6,7)(H,8,9)
InChIKeyHLMQUNWERHAPJW-UHFFFAOYSA-N
XLogP1.85
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid (CID 174359851) is 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n[nH]1.O=C(O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is HLMQUNWERHAPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.C5H6N2O2/c7-4-1-2-8-5(3-4)6(9)10;1-3-2-4(5(8)9)7-6-3/h1-3H,(H,9,10);2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid?
4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 283.67 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carboxylic acid;5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 174359851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).