3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine

C10H5Cl2F3N2 — CID 54246481

IUPAC3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2ccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2/c11-7-1-2-17(5-7)9-8(12)3-6(4-16-9)10(13,14)15/h1-5H
InChIKeyQTPXOCKJRZLGSI-UHFFFAOYSA-N
MW281.06 g/mol
LogP4.20
Rot. Bonds1

About 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 54246481) has the molecular formula C10H5Cl2F3N2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID54246481
Molecular FormulaC10H5Cl2F3N2
Molecular Weight281.06 g/mol
Exact Mass279.98
IUPAC Name3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2ccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C10H5Cl2F3N2/c11-7-1-2-17(5-7)9-8(12)3-6(4-16-9)10(13,14)15/h1-5H
InChIKeyQTPXOCKJRZLGSI-UHFFFAOYSA-N
XLogP4.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
CID 19892779
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
CID 43531727
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 53408255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine (CID 54246481) is 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-n2ccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is QTPXOCKJRZLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2/c11-7-1-2-17(5-7)9-8(12)3-6(4-16-9)10(13,14)15/h1-5H.
What are the key properties of 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 281.06 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 54246481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).