4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid

C10H9ClN4O2 — CID 22677351

IUPAC4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
SMILESCn1nccc1-c1cc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H9ClN4O2/c1-15-7(2-3-13-15)6-4-5(12)8(11)9(14-6)10(16)17/h2-4H,1H3,(H2,12,14)(H,16,17)
InChIKeyCXFHJEDLUSRCJC-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.42
Rot. Bonds2

About 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid (PubChem CID 22677351) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
PubChem CID22677351
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
SMILESCn1nccc1-c1cc(N)c(Cl)c(C(=O)O)n1
InChIInChI=1S/C10H9ClN4O2/c1-15-7(2-3-13-15)6-4-5(12)8(11)9(14-6)10(16)17/h2-4H,1H3,(H2,12,14)(H,16,17)
InChIKeyCXFHJEDLUSRCJC-UHFFFAOYSA-N
XLogP1.42
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid (CID 22677351) is 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid is Cn1nccc1-c1cc(N)c(Cl)c(C(=O)O)n1.
What is the InChIKey of 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid?
The InChIKey is CXFHJEDLUSRCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-7(2-3-13-15)6-4-5(12)8(11)9(14-6)10(16)17/h2-4H,1H3,(H2,12,14)(H,16,17).
What are the key properties of 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 22677351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).