4-amino-2-chloropyridine-3-carboxylic acid

C6H5ClN2O2 — CID 59553880

IUPAC4-amino-2-chloropyridine-3-carboxylic acid
SMILESNc1ccnc(Cl)c1C(=O)O
InChIInChI=1S/C6H5ClN2O2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H2,8,9)(H,10,11)
InChIKeyKSWQBRYDZAEYQP-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.02
Rot. Bonds1

About 4-amino-2-chloropyridine-3-carboxylic acid

4-amino-2-chloropyridine-3-carboxylic acid (PubChem CID 59553880) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 4-amino-2-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-chloropyridine-3-carboxylic acid
PubChem CID59553880
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name4-amino-2-chloropyridine-3-carboxylic acid
SMILESNc1ccnc(Cl)c1C(=O)O
InChIInChI=1S/C6H5ClN2O2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H2,8,9)(H,10,11)
InChIKeyKSWQBRYDZAEYQP-UHFFFAOYSA-N
XLogP1.02
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloropyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-chloropyridine-3-carboxylic acid (CID 59553880) is 4-amino-2-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-chloropyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-chloropyridine-3-carboxylic acid is Nc1ccnc(Cl)c1C(=O)O.
What is the InChIKey of 4-amino-2-chloropyridine-3-carboxylic acid?
The InChIKey is KSWQBRYDZAEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H2,8,9)(H,10,11).
What are the key properties of 4-amino-2-chloropyridine-3-carboxylic acid?
4-amino-2-chloropyridine-3-carboxylic acid has a molecular weight of 172.57 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 59553880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).