3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine

C12H12ClN3 — CID 60914274

IUPAC3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
SMILESClc1cccnc1NCCc1cccnc1
InChIInChI=1S/C12H12ClN3/c13-11-4-2-7-15-12(11)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyZYKDJGRITGRRFY-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.78
Rot. Bonds4

About 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine

3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine (PubChem CID 60914274) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
PubChem CID60914274
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
SMILESClc1cccnc1NCCc1cccnc1
InChIInChI=1S/C12H12ClN3/c13-11-4-2-7-15-12(11)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2,(H,15,16)
InChIKeyZYKDJGRITGRRFY-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
7-chloro-N-(2-pyridin-3-ylethyl)quinazolin-4-amine
CID 36722460
7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 60912919
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
CID 78893886

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine (CID 60914274) is 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine is Clc1cccnc1NCCc1cccnc1.
What is the InChIKey of 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
The InChIKey is ZYKDJGRITGRRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-4-2-7-15-12(11)16-8-5-10-3-1-6-14-9-10/h1-4,6-7,9H,5,8H2,(H,15,16).
What are the key properties of 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine?
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine is sourced from PubChem (CID 60914274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).