3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine

C11H7Cl2F3N2 — CID 20677250

IUPAC3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine
SMILESCn1cc(C(F)(F)F)cc1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2F3N2/c1-18-5-6(11(14,15)16)2-9(18)10-8(13)3-7(12)4-17-10/h2-5H,1H3
InChIKeyQZQKGRQXZFIXMS-UHFFFAOYSA-N
MW295.09 g/mol
LogP4.41
Rot. Bonds1

About 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine

3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine (PubChem CID 20677250) has the molecular formula C11H7Cl2F3N2 and a molecular weight of 295.09 g/mol. Its IUPAC name is 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine
PubChem CID20677250
Molecular FormulaC11H7Cl2F3N2
Molecular Weight295.09 g/mol
Exact Mass293.99
IUPAC Name3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine
SMILESCn1cc(C(F)(F)F)cc1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2F3N2/c1-18-5-6(11(14,15)16)2-9(18)10-8(13)3-7(12)4-17-10/h2-5H,1H3
InChIKeyQZQKGRQXZFIXMS-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine?
The IUPAC name of 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine (CID 20677250) is 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine is Cn1cc(C(F)(F)F)cc1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine?
The InChIKey is QZQKGRQXZFIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2/c1-18-5-6(11(14,15)16)2-9(18)10-8(13)3-7(12)4-17-10/h2-5H,1H3.
What are the key properties of 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine?
3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine has a molecular weight of 295.09 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridine is sourced from PubChem (CID 20677250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).