4-amino-3-cyanopyridine-2-carboxylic acid

C7H5N3O2 — CID 118812153

IUPAC4-amino-3-cyanopyridine-2-carboxylic acid
SMILESN#Cc1c(N)ccnc1C(=O)O
InChIInChI=1S/C7H5N3O2/c8-3-4-5(9)1-2-10-6(4)7(11)12/h1-2H,(H2,9,10)(H,11,12)
InChIKeyILDXEKNQLKCLFT-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.23
Rot. Bonds1

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

4-amino-3-cyanopyridine-2-carboxylic acid (PubChem CID 118812153) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-amino-3-cyanopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyanopyridine-2-carboxylic acid
PubChem CID118812153
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name4-amino-3-cyanopyridine-2-carboxylic acid
SMILESN#Cc1c(N)ccnc1C(=O)O
InChIInChI=1S/C7H5N3O2/c8-3-4-5(9)1-2-10-6(4)7(11)12/h1-2H,(H2,9,10)(H,11,12)
InChIKeyILDXEKNQLKCLFT-UHFFFAOYSA-N
XLogP0.23
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyanopyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-cyanopyridine-2-carboxylic acid (CID 118812153) is 4-amino-3-cyanopyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyanopyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-cyanopyridine-2-carboxylic acid is N#Cc1c(N)ccnc1C(=O)O.
What is the InChIKey of 4-amino-3-cyanopyridine-2-carboxylic acid?
The InChIKey is ILDXEKNQLKCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c8-3-4-5(9)1-2-10-6(4)7(11)12/h1-2H,(H2,9,10)(H,11,12).
What are the key properties of 4-amino-3-cyanopyridine-2-carboxylic acid?
4-amino-3-cyanopyridine-2-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyanopyridine-2-carboxylic acid is sourced from PubChem (CID 118812153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).