5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C9H5F4N3 — CID 177229961

IUPAC5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFc1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C9H5F4N3/c10-6-1-2-8(14-5-6)16-4-3-7(15-16)9(11,12)13/h1-5H
InChIKeyKRJHMXXBCAWXIO-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.43
Rot. Bonds1

About 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 177229961) has the molecular formula C9H5F4N3 and a molecular weight of 231.15 g/mol. Its IUPAC name is 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID177229961
Molecular FormulaC9H5F4N3
Molecular Weight231.15 g/mol
Exact Mass231.04
IUPAC Name5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFc1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C9H5F4N3/c10-6-1-2-8(14-5-6)16-4-3-7(15-16)9(11,12)13/h1-5H
InChIKeyKRJHMXXBCAWXIO-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
CID 61311412
ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 142831358
ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
CID 143496708
2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine
CID 86713077
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
5-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxamide
CID 114090520
1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine
CID 118020376
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
CID 79194874
[1-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62951079
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]ethanamine
CID 86713064

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 177229961) is 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is Fc1ccc(-n2ccc(C(F)(F)F)n2)nc1.
What is the InChIKey of 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is KRJHMXXBCAWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N3/c10-6-1-2-8(14-5-6)16-4-3-7(15-16)9(11,12)13/h1-5H.
What are the key properties of 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 231.15 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 177229961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).