2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine

C14H13ClN2 — CID 82579238

IUPAC2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine
SMILESNCCC1c2cccnc2-c2c(Cl)cccc21
InChIInChI=1S/C14H13ClN2/c15-12-5-1-3-10-9(6-7-16)11-4-2-8-17-14(11)13(10)12/h1-5,8-9H,6-7,16H2
InChIKeyUJIJUVXSRNHNMX-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.20
Rot. Bonds2

About 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine

2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine (PubChem CID 82579238) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine
PubChem CID82579238
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine
SMILESNCCC1c2cccnc2-c2c(Cl)cccc21
InChIInChI=1S/C14H13ClN2/c15-12-5-1-3-10-9(6-7-16)11-4-2-8-17-14(11)13(10)12/h1-5,8-9H,6-7,16H2
InChIKeyUJIJUVXSRNHNMX-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine (CID 82579238) is 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine is NCCC1c2cccnc2-c2c(Cl)cccc21.
What is the InChIKey of 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine?
The InChIKey is UJIJUVXSRNHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-12-5-1-3-10-9(6-7-16)11-4-2-8-17-14(11)13(10)12/h1-5,8-9H,6-7,16H2.
What are the key properties of 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine?
2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine has a molecular weight of 244.72 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine is sourced from PubChem (CID 82579238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).