5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile

C14H7F3N4 — CID 138496652

IUPAC5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile
SMILESN#Cc1cc2c(-c3ccccc3C(F)(F)F)c[nH]c2nn1
InChIInChI=1S/C14H7F3N4/c15-14(16,17)12-4-2-1-3-9(12)11-7-19-13-10(11)5-8(6-18)20-21-13/h1-5,7H,(H,19,21)
InChIKeyQJHDWMCOXXQFPO-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.52
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile

5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile (PubChem CID 138496652) has the molecular formula C14H7F3N4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile
PubChem CID138496652
Molecular FormulaC14H7F3N4
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile
SMILESN#Cc1cc2c(-c3ccccc3C(F)(F)F)c[nH]c2nn1
InChIInChI=1S/C14H7F3N4/c15-14(16,17)12-4-2-1-3-9(12)11-7-19-13-10(11)5-8(6-18)20-21-13/h1-5,7H,(H,19,21)
InChIKeyQJHDWMCOXXQFPO-UHFFFAOYSA-N
XLogP3.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 138496672
6-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
CID 58774788
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
CID 138496787
3,5-bis[2-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 134623343
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
CID 110383544

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile (CID 138496652) is 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile is N#Cc1cc2c(-c3ccccc3C(F)(F)F)c[nH]c2nn1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile?
The InChIKey is QJHDWMCOXXQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4/c15-14(16,17)12-4-2-1-3-9(12)11-7-19-13-10(11)5-8(6-18)20-21-13/h1-5,7H,(H,19,21).
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile?
5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile has a molecular weight of 288.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-c]pyridazine-3-carbonitrile is sourced from PubChem (CID 138496652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).