4-chloro-3H-pyrrolo[2,3-b]pyridine

C7H5ClN2 — CID 78357844

IUPAC4-chloro-3H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2c1CC=N2
InChIInChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h2-4H,1H2
InChIKeyYUFIAESLDFHDNF-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.99
Rot. Bonds

About 4-chloro-3H-pyrrolo[2,3-b]pyridine

4-chloro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 78357844) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3H-pyrrolo[2,3-b]pyridine
PubChem CID78357844
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name4-chloro-3H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2c1CC=N2
InChIInChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h2-4H,1H2
InChIKeyYUFIAESLDFHDNF-UHFFFAOYSA-N
XLogP1.99
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3H-pyrrolo[2,3-b]pyridine (CID 78357844) is 4-chloro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3H-pyrrolo[2,3-b]pyridine is Clc1ccnc2c1CC=N2.
What is the InChIKey of 4-chloro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is YUFIAESLDFHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h2-4H,1H2.
What are the key properties of 4-chloro-3H-pyrrolo[2,3-b]pyridine?
4-chloro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 152.58 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78357844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).