3-(difluoromethyl)-2,5-difluoropyridine

C6H3F4N — CID 70480194

IUPAC3-(difluoromethyl)-2,5-difluoropyridine
SMILESFc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C6H3F4N/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H
InChIKeyLHHYHYQEKLCVNB-UHFFFAOYSA-N
MW165.09 g/mol
LogP2.30
Rot. Bonds1

About 3-(difluoromethyl)-2,5-difluoropyridine

3-(difluoromethyl)-2,5-difluoropyridine (PubChem CID 70480194) has the molecular formula C6H3F4N and a molecular weight of 165.09 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,5-difluoropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2,5-difluoropyridine
PubChem CID70480194
Molecular FormulaC6H3F4N
Molecular Weight165.09 g/mol
Exact Mass165.02
IUPAC Name3-(difluoromethyl)-2,5-difluoropyridine
SMILESFc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C6H3F4N/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H
InChIKeyLHHYHYQEKLCVNB-UHFFFAOYSA-N
XLogP2.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 52.30
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

5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
3-(difluoromethyl)-2-ethyl-5-fluoropyridine
CID 173055715
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
CID 130079918
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809
5-(difluoromethyl)-2-fluoro-4-methylpyridin-3-amine
CID 130103932
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,5-difluoropyridine?
The IUPAC name of 3-(difluoromethyl)-2,5-difluoropyridine (CID 70480194) is 3-(difluoromethyl)-2,5-difluoropyridine.
What is the SMILES notation for 3-(difluoromethyl)-2,5-difluoropyridine?
The canonical SMILES for 3-(difluoromethyl)-2,5-difluoropyridine is Fc1cnc(F)c(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-2,5-difluoropyridine?
The InChIKey is LHHYHYQEKLCVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H.
What are the key properties of 3-(difluoromethyl)-2,5-difluoropyridine?
3-(difluoromethyl)-2,5-difluoropyridine has a molecular weight of 165.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,5-difluoropyridine is sourced from PubChem (CID 70480194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).