2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine

C8H4F3N4- — CID 59512692

IUPAC2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1nnc(-c2ccccn2)[n-]1
InChIInChI=1S/C8H4F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H/q-1
InChIKeyCRCLWHWZNDHYHA-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.51
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine

2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine (PubChem CID 59512692) has the molecular formula C8H4F3N4- and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine
PubChem CID59512692
Molecular FormulaC8H4F3N4-
Molecular Weight213.14 g/mol
Exact Mass213.04
IUPAC Name2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine
SMILESFC(F)(F)c1nnc(-c2ccccn2)[n-]1
InChIInChI=1S/C8H4F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H/q-1
InChIKeyCRCLWHWZNDHYHA-UHFFFAOYSA-N
XLogP1.51
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine (CID 59512692) is 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine is FC(F)(F)c1nnc(-c2ccccn2)[n-]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine?
The InChIKey is CRCLWHWZNDHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N4/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5/h1-4H/q-1.
What are the key properties of 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine?
2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine has a molecular weight of 213.14 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine is sourced from PubChem (CID 59512692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).