3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine

C23H17F3N2 — CID 135008203

IUPAC3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccccc3)cc(C(F)(F)F)c2-c2cccnc2)cc1
InChIInChI=1S/C23H17F3N2/c1-16-9-11-19(12-10-16)28-21(17-6-3-2-4-7-17)14-20(23(24,25)26)22(28)18-8-5-13-27-15-18/h2-15H,1H3
InChIKeyHTYHYRADLAGFQO-UHFFFAOYSA-N
MW378.40 g/mol
LogP6.53
Rot. Bonds3

About 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine

3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine (PubChem CID 135008203) has the molecular formula C23H17F3N2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine
PubChem CID135008203
Molecular FormulaC23H17F3N2
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccccc3)cc(C(F)(F)F)c2-c2cccnc2)cc1
InChIInChI=1S/C23H17F3N2/c1-16-9-11-19(12-10-16)28-21(17-6-3-2-4-7-17)14-20(23(24,25)26)22(28)18-8-5-13-27-15-18/h2-15H,1H3
InChIKeyHTYHYRADLAGFQO-UHFFFAOYSA-N
XLogP6.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Mebhydrolin
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Avn-101
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CID 5713123
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CID 5333955
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine?
The IUPAC name of 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine (CID 135008203) is 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine is Cc1ccc(-n2c(-c3ccccc3)cc(C(F)(F)F)c2-c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine?
The InChIKey is HTYHYRADLAGFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2/c1-16-9-11-19(12-10-16)28-21(17-6-3-2-4-7-17)14-20(23(24,25)26)22(28)18-8-5-13-27-15-18/h2-15H,1H3.
What are the key properties of 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine?
3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine has a molecular weight of 378.40 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrrol-2-yl]pyridine is sourced from PubChem (CID 135008203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).