2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine

C9H6Cl2F3N — CID 166636810

IUPAC2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2c(Cl)ccnc2Cl)CC1
InChIInChI=1S/C9H6Cl2F3N/c10-5-1-4-15-7(11)6(5)8(2-3-8)9(12,13)14/h1,4H,2-3H2
InChIKeyMMTMKRMATIBJOH-UHFFFAOYSA-N
MW256.05 g/mol
LogP3.98
Rot. Bonds1

About 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine

2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine (PubChem CID 166636810) has the molecular formula C9H6Cl2F3N and a molecular weight of 256.05 g/mol. Its IUPAC name is 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine
PubChem CID166636810
Molecular FormulaC9H6Cl2F3N
Molecular Weight256.05 g/mol
Exact Mass254.98
IUPAC Name2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine
SMILESFC(F)(F)C1(c2c(Cl)ccnc2Cl)CC1
InChIInChI=1S/C9H6Cl2F3N/c10-5-1-4-15-7(11)6(5)8(2-3-8)9(12,13)14/h1,4H,2-3H2
InChIKeyMMTMKRMATIBJOH-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
CID 166636813
2-chloro-6-[1-(trifluoromethyl)cyclopropyl]benzoic acid
CID 122458061
3-tert-butyl-2,4-dichloropyridine
CID 152672393
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine
CID 160532527
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile
CID 11430316
1-chloro-8-(trifluoromethyl)isoquinoline
CID 84819746
4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine
CID 166636824
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
1-(3-chloro-4-fluorophenyl)-4-(2,4-dichloro-3-pyridinyl)-1,4-diazepane
CID 146280054
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine?
The IUPAC name of 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine (CID 166636810) is 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine.
What is the SMILES notation for 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine?
The canonical SMILES for 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine is FC(F)(F)C1(c2c(Cl)ccnc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine?
The InChIKey is MMTMKRMATIBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3N/c10-5-1-4-15-7(11)6(5)8(2-3-8)9(12,13)14/h1,4H,2-3H2.
What are the key properties of 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine?
2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine has a molecular weight of 256.05 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine is sourced from PubChem (CID 166636810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).