2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile

C11H13ClN4 — CID 107061376

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC2CN)c1Cl
InChIInChI=1S/C11H13ClN4/c12-10-8(6-13)3-4-15-11(10)16-5-1-2-9(16)7-14/h3-4,9H,1-2,5,7,14H2
InChIKeyDULCNUDHMUKKIV-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.53
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile

2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile (PubChem CID 107061376) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
PubChem CID107061376
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC2CN)c1Cl
InChIInChI=1S/C11H13ClN4/c12-10-8(6-13)3-4-15-11(10)16-5-1-2-9(16)7-14/h3-4,9H,1-2,5,7,14H2
InChIKeyDULCNUDHMUKKIV-UHFFFAOYSA-N
XLogP1.53
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile (CID 107061376) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(N2CCCC2CN)c1Cl.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The InChIKey is DULCNUDHMUKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-10-8(6-13)3-4-15-11(10)16-5-1-2-9(16)7-14/h3-4,9H,1-2,5,7,14H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile has a molecular weight of 236.71 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).