2-cyclopropylpyridine-3-carbonitrile

C9H8N2 — CID 57440906

IUPAC2-cyclopropylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CC1
InChIInChI=1S/C9H8N2/c10-6-8-2-1-5-11-9(8)7-3-4-7/h1-2,5,7H,3-4H2
InChIKeyBXVQUHAHCVFATN-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.83
Rot. Bonds1

About 2-cyclopropylpyridine-3-carbonitrile

2-cyclopropylpyridine-3-carbonitrile (PubChem CID 57440906) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-cyclopropylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-cyclopropylpyridine-3-carbonitrile
PubChem CID57440906
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-cyclopropylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1C1CC1
InChIInChI=1S/C9H8N2/c10-6-8-2-1-5-11-9(8)7-3-4-7/h1-2,5,7H,3-4H2
InChIKeyBXVQUHAHCVFATN-UHFFFAOYSA-N
XLogP1.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpyridine-3-carbonitrile?
The IUPAC name of 2-cyclopropylpyridine-3-carbonitrile (CID 57440906) is 2-cyclopropylpyridine-3-carbonitrile.
What is the SMILES notation for 2-cyclopropylpyridine-3-carbonitrile?
The canonical SMILES for 2-cyclopropylpyridine-3-carbonitrile is N#Cc1cccnc1C1CC1.
What is the InChIKey of 2-cyclopropylpyridine-3-carbonitrile?
The InChIKey is BXVQUHAHCVFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-8-2-1-5-11-9(8)7-3-4-7/h1-2,5,7H,3-4H2.
What are the key properties of 2-cyclopropylpyridine-3-carbonitrile?
2-cyclopropylpyridine-3-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpyridine-3-carbonitrile is sourced from PubChem (CID 57440906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).