N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine

C12H15ClN2 — CID 164655530

IUPACN-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
SMILESClc1cc(NC2CCCC3CC32)ccn1
InChIInChI=1S/C12H15ClN2/c13-12-7-9(4-5-14-12)15-11-3-1-2-8-6-10(8)11/h4-5,7-8,10-11H,1-3,6H2,(H,14,15)
InChIKeyIBNKSVCWUCTVOM-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.34
Rot. Bonds2

About N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine

N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine (PubChem CID 164655530) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
PubChem CID164655530
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
SMILESClc1cc(NC2CCCC3CC32)ccn1
InChIInChI=1S/C12H15ClN2/c13-12-7-9(4-5-14-12)15-11-3-1-2-8-6-10(8)11/h4-5,7-8,10-11H,1-3,6H2,(H,14,15)
InChIKeyIBNKSVCWUCTVOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
2-chloro-N-[3-(2-methylpropyl)cyclohexyl]pyridin-4-amine
CID 107428685
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637
N-(2-bicyclo[3.1.0]hexanyl)-4-bromopyridin-2-amine
CID 130608087
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
CID 131172392
(1R,6S)-N-[1-(3,4-dichlorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
CID 112739956

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine (CID 164655530) is N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine is Clc1cc(NC2CCCC3CC32)ccn1.
What is the InChIKey of N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine?
The InChIKey is IBNKSVCWUCTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-12-7-9(4-5-14-12)15-11-3-1-2-8-6-10(8)11/h4-5,7-8,10-11H,1-3,6H2,(H,14,15).
What are the key properties of N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine?
N-(2-bicyclo[4.1.0]heptanyl)-2-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[4.1.0]heptanyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 164655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).