2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride

C9H11Cl2N3 — CID 66832061

IUPAC2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C9H10ClN3.ClH/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7;/h3-5H,1-2,11H2,(H,12,13);1H
InChIKeyVEQFVNJZXCTOAN-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.14
Rot. Bonds2

About 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride (PubChem CID 66832061) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride
PubChem CID66832061
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C9H10ClN3.ClH/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7;/h3-5H,1-2,11H2,(H,12,13);1H
InChIKeyVEQFVNJZXCTOAN-UHFFFAOYSA-N
XLogP2.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride (CID 66832061) is 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride is Cl.NCCc1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?
The InChIKey is VEQFVNJZXCTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3.ClH/c10-7-3-8-6(1-2-11)4-12-9(8)13-5-7;/h3-5H,1-2,11H2,(H,12,13);1H.
What are the key properties of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 66832061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).