4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C13H11ClN4 — CID 56866339

IUPAC4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C13H11ClN4/c14-11-7-12(18-13-10(11)3-6-16-13)17-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18)
InChIKeyWGRAYPOKJRZBPR-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.22
Rot. Bonds3

About 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56866339) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56866339
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESClc1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C13H11ClN4/c14-11-7-12(18-13-10(11)3-6-16-13)17-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18)
InChIKeyWGRAYPOKJRZBPR-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56866339) is 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Clc1cc(NCc2ccncc2)nc2[nH]ccc12.
What is the InChIKey of 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is WGRAYPOKJRZBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-7-12(18-13-10(11)3-6-16-13)17-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 258.71 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).