4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile

C15H13N3 — CID 66714660

IUPAC4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CC3N)cn2)cc1
InChIInChI=1S/C15H13N3/c16-8-10-1-3-11(4-2-10)15-6-5-12(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2
InChIKeyPBHQZOMRJVVVNW-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.43
Rot. Bonds2

About 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile

4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile (PubChem CID 66714660) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile
PubChem CID66714660
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CC3N)cn2)cc1
InChIInChI=1S/C15H13N3/c16-8-10-1-3-11(4-2-10)15-6-5-12(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2
InChIKeyPBHQZOMRJVVVNW-UHFFFAOYSA-N
XLogP2.43
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile (CID 66714660) is 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2ccc(C3CC3N)cn2)cc1.
What is the InChIKey of 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile?
The InChIKey is PBHQZOMRJVVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-8-10-1-3-11(4-2-10)15-6-5-12(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2.
What are the key properties of 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile?
4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 66714660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).