3-aminopyridine-2-carbonitrile

C6H5N3 — CID 577015

IUPAC3-aminopyridine-2-carbonitrile
SMILESN#Cc1ncccc1N
InChIInChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2
InChIKeyKMHCTFSFWQRZTR-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.54
Rot. Bonds

About 3-aminopyridine-2-carbonitrile

3-aminopyridine-2-carbonitrile (PubChem CID 577015) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 3-aminopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-aminopyridine-2-carbonitrile
PubChem CID577015
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name3-aminopyridine-2-carbonitrile
SMILESN#Cc1ncccc1N
InChIInChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2
InChIKeyKMHCTFSFWQRZTR-UHFFFAOYSA-N
XLogP0.54
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyridine-2-carbonitrile?
The IUPAC name of 3-aminopyridine-2-carbonitrile (CID 577015) is 3-aminopyridine-2-carbonitrile.
What is the SMILES notation for 3-aminopyridine-2-carbonitrile?
The canonical SMILES for 3-aminopyridine-2-carbonitrile is N#Cc1ncccc1N.
What is the InChIKey of 3-aminopyridine-2-carbonitrile?
The InChIKey is KMHCTFSFWQRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2.
What are the key properties of 3-aminopyridine-2-carbonitrile?
3-aminopyridine-2-carbonitrile has a molecular weight of 119.13 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyridine-2-carbonitrile is sourced from PubChem (CID 577015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).