8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C14H13ClN4 — CID 22012144

IUPAC8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(Cl)c(-c2cccnc2)n2c1C(N)CCC2
InChIInChI=1S/C14H13ClN4/c15-12-10(7-16)14-11(17)4-2-6-19(14)13(12)9-3-1-5-18-8-9/h1,3,5,8,11H,2,4,6,17H2
InChIKeyADOOSXJBQDVFQV-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.87
Rot. Bonds1

About 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile

8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 22012144) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID22012144
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1c(Cl)c(-c2cccnc2)n2c1C(N)CCC2
InChIInChI=1S/C14H13ClN4/c15-12-10(7-16)14-11(17)4-2-6-19(14)13(12)9-3-1-5-18-8-9/h1,3,5,8,11H,2,4,6,17H2
InChIKeyADOOSXJBQDVFQV-UHFFFAOYSA-N
XLogP2.87
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 22012144) is 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is N#Cc1c(Cl)c(-c2cccnc2)n2c1C(N)CCC2.
What is the InChIKey of 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is ADOOSXJBQDVFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-12-10(7-16)14-11(17)4-2-6-19(14)13(12)9-3-1-5-18-8-9/h1,3,5,8,11H,2,4,6,17H2.
What are the key properties of 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 22012144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).