4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C8H3Cl2N3 — CID 129492843

IUPAC4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=CN=C2N=C(Cl)CC(Cl)=C12
InChIInChI=1S/C8H3Cl2N3/c9-5-1-6(10)13-8-7(5)4(2-11)3-12-8/h3H,1H2
InChIKeyMSKPFGPEVJHQHZ-UHFFFAOYSA-N
MW212.04 g/mol
LogP2.34
Rot. Bonds

About 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 129492843) has the molecular formula C8H3Cl2N3 and a molecular weight of 212.04 g/mol. Its IUPAC name is 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID129492843
Molecular FormulaC8H3Cl2N3
Molecular Weight212.04 g/mol
Exact Mass210.97
IUPAC Name4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=CN=C2N=C(Cl)CC(Cl)=C12
InChIInChI=1S/C8H3Cl2N3/c9-5-1-6(10)13-8-7(5)4(2-11)3-12-8/h3H,1H2
InChIKeyMSKPFGPEVJHQHZ-UHFFFAOYSA-N
XLogP2.34
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 129492843) is 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#CC1=CN=C2N=C(Cl)CC(Cl)=C12.
What is the InChIKey of 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is MSKPFGPEVJHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3/c9-5-1-6(10)13-8-7(5)4(2-11)3-12-8/h3H,1H2.
What are the key properties of 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 212.04 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 129492843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).