4-chloro-1H-pyrrolo[2,3-b]pyridine

C7H5ClN2 — CID 11389493

IUPAC4-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]ccc12
InChIInChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKeyHNTZVGMWXCFCTA-UHFFFAOYSA-N
MW152.58 g/mol
LogP2.22
Rot. Bonds

About 4-chloro-1H-pyrrolo[2,3-b]pyridine

4-chloro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11389493) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 4-chloro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-1H-pyrrolo[2,3-b]pyridine
PubChem CID11389493
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name4-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]ccc12
InChIInChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKeyHNTZVGMWXCFCTA-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine (CID 11389493) is 4-chloro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-1H-pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]ccc12.
What is the InChIKey of 4-chloro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HNTZVGMWXCFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10).
What are the key properties of 4-chloro-1H-pyrrolo[2,3-b]pyridine?
4-chloro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 152.58 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11389493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).