4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine

C8H4Cl2F2N2 — CID 172634702

IUPAC4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine
SMILESFC(F)n1ccc2c(Cl)nc(Cl)cc21
InChIInChI=1S/C8H4Cl2F2N2/c9-6-3-5-4(7(10)13-6)1-2-14(5)8(11)12/h1-3,8H
InChIKeyMNFLIYQEDRGNIG-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.74
Rot. Bonds1

About 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine

4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine (PubChem CID 172634702) has the molecular formula C8H4Cl2F2N2 and a molecular weight of 237.04 g/mol. Its IUPAC name is 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine
PubChem CID172634702
Molecular FormulaC8H4Cl2F2N2
Molecular Weight237.04 g/mol
Exact Mass235.97
IUPAC Name4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine
SMILESFC(F)n1ccc2c(Cl)nc(Cl)cc21
InChIInChI=1S/C8H4Cl2F2N2/c9-6-3-5-4(7(10)13-6)1-2-14(5)8(11)12/h1-3,8H
InChIKeyMNFLIYQEDRGNIG-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine (CID 172634702) is 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine is FC(F)n1ccc2c(Cl)nc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is MNFLIYQEDRGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2N2/c9-6-3-5-4(7(10)13-6)1-2-14(5)8(11)12/h1-3,8H.
What are the key properties of 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine?
4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine has a molecular weight of 237.04 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(difluoromethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 172634702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).