1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine

C12H12ClN3 — CID 172844514

IUPAC1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncccc1-c1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3
InChIKeyXFVXKCDUPRGUMZ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.82
Rot. Bonds2

About 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine

1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine (PubChem CID 172844514) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine
PubChem CID172844514
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ncccc1-c1ccc(Cl)cn1
InChIInChI=1S/C12H12ClN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3
InChIKeyXFVXKCDUPRGUMZ-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine (CID 172844514) is 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine is CC(N)c1ncccc1-c1ccc(Cl)cn1.
What is the InChIKey of 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine?
The InChIKey is XFVXKCDUPRGUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8(14)12-10(3-2-6-15-12)11-5-4-9(13)7-16-11/h2-8H,14H2,1H3.
What are the key properties of 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine?
1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-pyridinyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 172844514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).