5-amino-3-chloropyridine-2-carboxylic acid

C6H5ClN2O2 — CID 71651238

IUPAC5-amino-3-chloropyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKeyYPRMDVNOKYHKHJ-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.02
Rot. Bonds1

About 5-amino-3-chloropyridine-2-carboxylic acid

5-amino-3-chloropyridine-2-carboxylic acid (PubChem CID 71651238) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 5-amino-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-chloropyridine-2-carboxylic acid
PubChem CID71651238
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name5-amino-3-chloropyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKeyYPRMDVNOKYHKHJ-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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-chloropyridine-2-carboxylic acid (CID 71651238) is 5-amino-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-chloropyridine-2-carboxylic acid is Nc1cnc(C(=O)O)c(Cl)c1.
What is the InChIKey of 5-amino-3-chloropyridine-2-carboxylic acid?
The InChIKey is YPRMDVNOKYHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11).
What are the key properties of 5-amino-3-chloropyridine-2-carboxylic acid?
5-amino-3-chloropyridine-2-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 5-amino-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 71651238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).