2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile

C14H8F2N4 — CID 135186285

IUPAC2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cnnc(C(F)F)c2)[nH]c2ccccc12
InChIInChI=1S/C14H8F2N4/c15-14(16)12-5-8(7-18-20-12)13-10(6-17)9-3-1-2-4-11(9)19-13/h1-5,7,14,19H
InChIKeyNOLXMPKLCJZQQL-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.43
Rot. Bonds2

About 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile

2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile (PubChem CID 135186285) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile
PubChem CID135186285
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cnnc(C(F)F)c2)[nH]c2ccccc12
InChIInChI=1S/C14H8F2N4/c15-14(16)12-5-8(7-18-20-12)13-10(6-17)9-3-1-2-4-11(9)19-13/h1-5,7,14,19H
InChIKeyNOLXMPKLCJZQQL-UHFFFAOYSA-N
XLogP3.43
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile (CID 135186285) is 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile is N#Cc1c(-c2cnnc(C(F)F)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile?
The InChIKey is NOLXMPKLCJZQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-14(16)12-5-8(7-18-20-12)13-10(6-17)9-3-1-2-4-11(9)19-13/h1-5,7,14,19H.
What are the key properties of 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile?
2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)pyridazin-4-yl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 135186285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).