2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid

C13H9ClN4O2 — CID 90242515

IUPAC2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid
SMILESNc1nccc(C(=O)O)c1-c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H9ClN4O2/c14-6-1-2-9-8(5-6)11(18-17-9)10-7(13(19)20)3-4-16-12(10)15/h1-5H,(H2,15,16)(H,17,18)(H,19,20)
InChIKeyFHVPGNIZNJTQFQ-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.56
Rot. Bonds2

About 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid

2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid (PubChem CID 90242515) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid
PubChem CID90242515
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid
SMILESNc1nccc(C(=O)O)c1-c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H9ClN4O2/c14-6-1-2-9-8(5-6)11(18-17-9)10-7(13(19)20)3-4-16-12(10)15/h1-5H,(H2,15,16)(H,17,18)(H,19,20)
InChIKeyFHVPGNIZNJTQFQ-UHFFFAOYSA-N
XLogP2.56
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid (CID 90242515) is 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid is Nc1nccc(C(=O)O)c1-c1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid?
The InChIKey is FHVPGNIZNJTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-6-1-2-9-8(5-6)11(18-17-9)10-7(13(19)20)3-4-16-12(10)15/h1-5H,(H2,15,16)(H,17,18)(H,19,20).
What are the key properties of 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid?
2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90242515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).