3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine

C12H13ClN4 — CID 103443859

IUPAC3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)c1ncccc1Cl
InChIInChI=1S/C12H13ClN4/c13-9-4-2-5-16-11(9)10(14)7-8-3-1-6-17-12(8)15/h1-6,10H,7,14H2,(H2,15,17)
InChIKeyYOSLLXDPARGKNK-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.95
Rot. Bonds3

About 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine

3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine (PubChem CID 103443859) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
PubChem CID103443859
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)c1ncccc1Cl
InChIInChI=1S/C12H13ClN4/c13-9-4-2-5-16-11(9)10(14)7-8-3-1-6-17-12(8)15/h1-6,10H,7,14H2,(H2,15,17)
InChIKeyYOSLLXDPARGKNK-UHFFFAOYSA-N
XLogP1.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chloro-2-pyridinyl)-2-hydrazinylethyl]pyridin-2-amine
CID 103445799
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
1-(3-chloro-2-pyridinyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103443769
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
CID 105237744
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine
CID 65132377
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine (CID 103443859) is 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine is Nc1ncccc1CC(N)c1ncccc1Cl.
What is the InChIKey of 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine?
The InChIKey is YOSLLXDPARGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-9-4-2-5-16-11(9)10(14)7-8-3-1-6-17-12(8)15/h1-6,10H,7,14H2,(H2,15,17).
What are the key properties of 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine?
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine has a molecular weight of 248.72 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 103443859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).