1-(3-chloro-2-pyridinyl)ethane-1,2-diamine

C7H10ClN3 — CID 55293817

IUPAC1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1ncccc1Cl
InChIInChI=1S/C7H10ClN3/c8-5-2-1-3-11-7(5)6(10)4-9/h1-3,6H,4,9-10H2
InChIKeyVVNDYMJXJCPXLO-UHFFFAOYSA-N
MW171.63 g/mol
LogP0.69
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine

1-(3-chloro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 55293817) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
PubChem CID55293817
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1ncccc1Cl
InChIInChI=1S/C7H10ClN3/c8-5-2-1-3-11-7(5)6(10)4-9/h1-3,6H,4,9-10H2
InChIKeyVVNDYMJXJCPXLO-UHFFFAOYSA-N
XLogP0.69
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
1-(3-chloro-2-pyridinyl)prop-2-yn-1-amine
CID 103443721
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine (CID 55293817) is 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine is NCC(N)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is VVNDYMJXJCPXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c8-5-2-1-3-11-7(5)6(10)4-9/h1-3,6H,4,9-10H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine?
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 171.63 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55293817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).