2-cyano-6-cyclopropylpyridine-3-carboxylic acid

C10H8N2O2 — CID 168979963

IUPAC2-cyano-6-cyclopropylpyridine-3-carboxylic acid
SMILESN#Cc1nc(C2CC2)ccc1C(=O)O
InChIInChI=1S/C10H8N2O2/c11-5-9-7(10(13)14)3-4-8(12-9)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyZXMLUBBUNZKGIK-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.53
Rot. Bonds2

About 2-cyano-6-cyclopropylpyridine-3-carboxylic acid

2-cyano-6-cyclopropylpyridine-3-carboxylic acid (PubChem CID 168979963) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-cyano-6-cyclopropylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyano-6-cyclopropylpyridine-3-carboxylic acid
PubChem CID168979963
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-cyano-6-cyclopropylpyridine-3-carboxylic acid
SMILESN#Cc1nc(C2CC2)ccc1C(=O)O
InChIInChI=1S/C10H8N2O2/c11-5-9-7(10(13)14)3-4-8(12-9)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKeyZXMLUBBUNZKGIK-UHFFFAOYSA-N
XLogP1.53
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-cyclopropylpyridine-3-carboxylic acid?
The IUPAC name of 2-cyano-6-cyclopropylpyridine-3-carboxylic acid (CID 168979963) is 2-cyano-6-cyclopropylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyano-6-cyclopropylpyridine-3-carboxylic acid?
The canonical SMILES for 2-cyano-6-cyclopropylpyridine-3-carboxylic acid is N#Cc1nc(C2CC2)ccc1C(=O)O.
What is the InChIKey of 2-cyano-6-cyclopropylpyridine-3-carboxylic acid?
The InChIKey is ZXMLUBBUNZKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-9-7(10(13)14)3-4-8(12-9)6-1-2-6/h3-4,6H,1-2H2,(H,13,14).
What are the key properties of 2-cyano-6-cyclopropylpyridine-3-carboxylic acid?
2-cyano-6-cyclopropylpyridine-3-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-cyclopropylpyridine-3-carboxylic acid is sourced from PubChem (CID 168979963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).