2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine

C16H12F3N3 — CID 29088820

IUPAC2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C16H12F3N3/c1-10-7-13(16(17,18)19)9-15(21-10)12-4-2-3-11(8-12)14-5-6-20-22-14/h2-9H,1H3,(H,20,22)
InChIKeyUNKVIBKBYDWQRK-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.47
Rot. Bonds2

About 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine

2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine (PubChem CID 29088820) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
PubChem CID29088820
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C16H12F3N3/c1-10-7-13(16(17,18)19)9-15(21-10)12-4-2-3-11(8-12)14-5-6-20-22-14/h2-9H,1H3,(H,20,22)
InChIKeyUNKVIBKBYDWQRK-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridine
CID 30877146
3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 122476263
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 154925149
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
CID 45231150
3-(1-methylimidazol-2-yl)-6-[3-(1H-pyrazol-5-yl)phenyl]pyridazine
CID 77084371
6-methyl-5-[3-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidine-2,4-dione
CID 39847435
5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
CID 29085232
4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid
CID 154924404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine (CID 29088820) is 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(-c2cccc(-c3ccn[nH]3)c2)n1.
What is the InChIKey of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine?
The InChIKey is UNKVIBKBYDWQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c1-10-7-13(16(17,18)19)9-15(21-10)12-4-2-3-11(8-12)14-5-6-20-22-14/h2-9H,1H3,(H,20,22).
What are the key properties of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine?
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine has a molecular weight of 303.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 29088820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).