N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine

C12H15ClN2 — CID 79839141

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
SMILESClc1cnccc1NC1CC2CCC1C2
InChIInChI=1S/C12H15ClN2/c13-10-7-14-4-3-11(10)15-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,14,15)
InChIKeyAZZUAJCZIKPFTJ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.34
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine (PubChem CID 79839141) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
PubChem CID79839141
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine
SMILESClc1cnccc1NC1CC2CCC1C2
InChIInChI=1S/C12H15ClN2/c13-10-7-14-4-3-11(10)15-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,14,15)
InChIKeyAZZUAJCZIKPFTJ-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine (CID 79839141) is N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine is Clc1cnccc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine?
The InChIKey is AZZUAJCZIKPFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-10-7-14-4-3-11(10)15-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine has a molecular weight of 222.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-chloropyridin-4-amine is sourced from PubChem (CID 79839141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).