2-(difluoromethoxy)-2-fluoro-1H-pyridine

C6H6F3NO — CID 146443817

IUPAC2-(difluoromethoxy)-2-fluoro-1H-pyridine
SMILESFC(F)OC1(F)C=CC=CN1
InChIInChI=1S/C6H6F3NO/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H
InChIKeyMDOCAIYBGRCLRV-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.52
Rot. Bonds2

About 2-(difluoromethoxy)-2-fluoro-1H-pyridine

2-(difluoromethoxy)-2-fluoro-1H-pyridine (PubChem CID 146443817) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 2-(difluoromethoxy)-2-fluoro-1H-pyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-2-fluoro-1H-pyridine
PubChem CID146443817
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name2-(difluoromethoxy)-2-fluoro-1H-pyridine
SMILESFC(F)OC1(F)C=CC=CN1
InChIInChI=1S/C6H6F3NO/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H
InChIKeyMDOCAIYBGRCLRV-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine
CID 69225666
2-(difluoromethoxy)-1H-pyridin-2-amine
CID 150558154
3-(difluoromethoxy)-1H-azepine
CID 150962641
2-bromo-2-(difluoromethoxy)-1H-pyridine
CID 152217000
3-Fluoro-2-methoxy-1,2-dihydropyridine
CID 173058082
2-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine
CID 173469546
2-Methoxy-3-(trifluoromethyl)-1,2-dihydropyridine
CID 175996814
5-(Difluoromethoxy)-1,2-dihydropyridine
CID 176018567
5-(Difluoromethoxy)-2,3-difluoro-1,2-dihydropyridine
CID 176167035
2-(2,2,2-trifluoroethoxy)-1H-pyridin-2-amine
CID 152366964
N-chloro-2-(trifluoromethoxy)-1H-pyridin-2-amine
CID 158750135
2-Methoxy-1,2-dihydropyridine
CID 17887843

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-2-fluoro-1H-pyridine?
The IUPAC name of 2-(difluoromethoxy)-2-fluoro-1H-pyridine (CID 146443817) is 2-(difluoromethoxy)-2-fluoro-1H-pyridine.
What is the SMILES notation for 2-(difluoromethoxy)-2-fluoro-1H-pyridine?
The canonical SMILES for 2-(difluoromethoxy)-2-fluoro-1H-pyridine is FC(F)OC1(F)C=CC=CN1.
What is the InChIKey of 2-(difluoromethoxy)-2-fluoro-1H-pyridine?
The InChIKey is MDOCAIYBGRCLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-5(8)11-6(9)3-1-2-4-10-6/h1-5,10H.
What are the key properties of 2-(difluoromethoxy)-2-fluoro-1H-pyridine?
2-(difluoromethoxy)-2-fluoro-1H-pyridine has a molecular weight of 165.11 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-2-fluoro-1H-pyridine is sourced from PubChem (CID 146443817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).