methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate

C8H6F3NO2 — CID 130096508

IUPACmethyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)cc1F
InChIInChI=1S/C8H6F3NO2/c1-14-8(13)6-5(9)2-4(3-12-6)7(10)11/h2-3,7H,1H3
InChIKeyCUFQSZLWRYRWNO-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.94
Rot. Bonds2

About methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate

methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (PubChem CID 130096508) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
PubChem CID130096508
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Namemethyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)F)cc1F
InChIInChI=1S/C8H6F3NO2/c1-14-8(13)6-5(9)2-4(3-12-6)7(10)11/h2-3,7H,1H3
InChIKeyCUFQSZLWRYRWNO-UHFFFAOYSA-N
XLogP1.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134673314
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
CID 133105353
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 130082369
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291
methyl 2-bromo-4-(difluoromethyl)-6-fluorobenzoate
CID 131537933
methyl 4-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133103914
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (CID 130096508) is methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is COC(=O)c1ncc(C(F)F)cc1F.
What is the InChIKey of methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is CUFQSZLWRYRWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-14-8(13)6-5(9)2-4(3-12-6)7(10)11/h2-3,7H,1H3.
What are the key properties of methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 205.13 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 130096508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).