1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine

C10H8F3N3 — CID 140781045

IUPAC1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine
SMILESCN1C=CC=CC1=C1C=C(C(F)(F)F)N=N1
InChIInChI=1S/C10H8F3N3/c1-16-5-3-2-4-8(16)7-6-9(15-14-7)10(11,12)13/h2-6H,1H3
InChIKeyXULRVTIXJNEQLV-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.13
Rot. Bonds

About 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine

1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine (PubChem CID 140781045) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine.

Molecular Properties

Compound Name1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine
PubChem CID140781045
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine
SMILESCN1C=CC=CC1=C1C=C(C(F)(F)F)N=N1
InChIInChI=1S/C10H8F3N3/c1-16-5-3-2-4-8(16)7-6-9(15-14-7)10(11,12)13/h2-6H,1H3
InChIKeyXULRVTIXJNEQLV-UHFFFAOYSA-N
XLogP3.13
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine?
The IUPAC name of 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine (CID 140781045) is 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine.
What is the SMILES notation for 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine?
The canonical SMILES for 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine is CN1C=CC=CC1=C1C=C(C(F)(F)F)N=N1.
What is the InChIKey of 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine?
The InChIKey is XULRVTIXJNEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-16-5-3-2-4-8(16)7-6-9(15-14-7)10(11,12)13/h2-6H,1H3.
What are the key properties of 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine?
1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine has a molecular weight of 227.19 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(trifluoromethyl)pyrazol-3-ylidene]pyridine is sourced from PubChem (CID 140781045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).