2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

C14H11Cl2N3 — CID 66415020

IUPAC2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H11Cl2N3/c15-10-3-4-12(16)13(6-10)18-7-9-8-19-14-11(9)2-1-5-17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyFCTGWTFOIHVHKT-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.48
Rot. Bonds3

About 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (PubChem CID 66415020) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
PubChem CID66415020
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESClc1ccc(Cl)c(NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H11Cl2N3/c15-10-3-4-12(16)13(6-10)18-7-9-8-19-14-11(9)2-1-5-17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyFCTGWTFOIHVHKT-UHFFFAOYSA-N
XLogP4.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (CID 66415020) is 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is Clc1ccc(Cl)c(NCc2c[nH]c3ncccc23)c1.
What is the InChIKey of 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The InChIKey is FCTGWTFOIHVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-10-3-4-12(16)13(6-10)18-7-9-8-19-14-11(9)2-1-5-17-14/h1-6,8,18H,7H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline has a molecular weight of 292.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 66415020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).