2-pyrrol-1-yl-3-(trifluoromethyl)pyridine

C10H7F3N2 — CID 173026104

IUPAC2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-n1cccc1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-4-3-5-14-9(8)15-6-1-2-7-15/h1-7H
InChIKeyLJGKJPWCMJWHGK-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.89
Rot. Bonds1

About 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine

2-pyrrol-1-yl-3-(trifluoromethyl)pyridine (PubChem CID 173026104) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
PubChem CID173026104
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-n1cccc1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)8-4-3-5-14-9(8)15-6-1-2-7-15/h1-7H
InChIKeyLJGKJPWCMJWHGK-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
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(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
CID 82699986
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
CID 139575024

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine (CID 173026104) is 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1-n1cccc1.
What is the InChIKey of 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine?
The InChIKey is LJGKJPWCMJWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)8-4-3-5-14-9(8)15-6-1-2-7-15/h1-7H.
What are the key properties of 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine?
2-pyrrol-1-yl-3-(trifluoromethyl)pyridine has a molecular weight of 212.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 173026104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).