6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid

C9H11N3O4 — CID 174864646

IUPAC6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid
SMILESNc1ccc(C(=O)O)c(C2CC2)n1.O=NO
InChIInChI=1S/C9H10N2O2.HNO2/c10-7-4-3-6(9(12)13)8(11-7)5-1-2-5;2-1-3/h3-5H,1-2H2,(H2,10,11)(H,12,13);(H,2,3)
InChIKeyWHMSDBLQAOUYKY-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.38
Rot. Bonds2

About 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid

6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid (PubChem CID 174864646) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid
PubChem CID174864646
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid
SMILESNc1ccc(C(=O)O)c(C2CC2)n1.O=NO
InChIInChI=1S/C9H10N2O2.HNO2/c10-7-4-3-6(9(12)13)8(11-7)5-1-2-5;2-1-3/h3-5H,1-2H2,(H2,10,11)(H,12,13);(H,2,3)
InChIKeyWHMSDBLQAOUYKY-UHFFFAOYSA-N
XLogP1.38
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid?
The IUPAC name of 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid (CID 174864646) is 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid.
What is the SMILES notation for 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid?
The canonical SMILES for 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid is Nc1ccc(C(=O)O)c(C2CC2)n1.O=NO.
What is the InChIKey of 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid?
The InChIKey is WHMSDBLQAOUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.HNO2/c10-7-4-3-6(9(12)13)8(11-7)5-1-2-5;2-1-3/h3-5H,1-2H2,(H2,10,11)(H,12,13);(H,2,3).
What are the key properties of 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid?
6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid has a molecular weight of 225.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyclopropylpyridine-3-carboxylic acid;nitrous acid is sourced from PubChem (CID 174864646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).