methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate

C19H14F3N3O4 — CID 171490626

IUPACmethyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-n2cccc(F)c2=O)cc1-c1cc(C(F)F)ncc1OC
InChIInChI=1S/C19H14F3N3O4/c1-28-15-9-23-14(17(21)22)6-11(15)10-7-16(24-8-12(10)19(27)29-2)25-5-3-4-13(20)18(25)26/h3-9,17H,1-2H3
InChIKeyBAMRGTWUTCRQSO-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.17
Rot. Bonds5

About methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate

methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate (PubChem CID 171490626) has the molecular formula C19H14F3N3O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate
PubChem CID171490626
Molecular FormulaC19H14F3N3O4
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC Namemethyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-n2cccc(F)c2=O)cc1-c1cc(C(F)F)ncc1OC
InChIInChI=1S/C19H14F3N3O4/c1-28-15-9-23-14(17(21)22)6-11(15)10-7-16(24-8-12(10)19(27)29-2)25-5-3-4-13(20)18(25)26/h3-9,17H,1-2H3
InChIKeyBAMRGTWUTCRQSO-UHFFFAOYSA-N
XLogP3.17
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate with MolForge

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Related Compounds

1-[[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carbonyl]amino]ethyl (1Z)-N-amino-3-cyclopropylprop-2-ynimidothioate
CID 177235357
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methyl-2-oxo-1-pyridinyl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 177234942
N-[2-(2-cyclopropylethynyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-methoxy-2-oxo-1-pyridinyl)pyridine-3-carboxamide
CID 177235176
methyl 2-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-4-(isocyanomethyl)benzoate
CID 176600419
[(Z)-1-[(1S)-2-[C-[N-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-2-oxo-1-pyridinyl)pyridine-3-carbonyl]carbamimidoyl]sulfanylcarbonimidoyl]cyclopropyl]-3-(methylamino)prop-2-enylidene]azanide
CID 177234856
methyl 6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134673227
methyl 1-(3-fluoro-5-methoxy-2-pyridinyl)-2-oxopyridine-3-carboxylate
CID 137450794
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(4-methyl-8-oxo-4,7-diazaspiro[2.5]octan-7-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 177235556
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(isocyanomethyl)pyridine-3-carboxylic acid
CID 176600314
4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxylic acid
CID 171490625
N-[5-(2-cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 175679771
[N-[4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(2-oxo-3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonyl]carbamimidoyl] 3-cyclopropylprop-2-ynimidothioate
CID 178081413

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate (CID 171490626) is methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate is COC(=O)c1cnc(-n2cccc(F)c2=O)cc1-c1cc(C(F)F)ncc1OC.
What is the InChIKey of methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate?
The InChIKey is BAMRGTWUTCRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4/c1-28-15-9-23-14(17(21)22)6-11(15)10-7-16(24-8-12(10)19(27)29-2)25-5-3-4-13(20)18(25)26/h3-9,17H,1-2H3.
What are the key properties of methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate?
methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate has a molecular weight of 405.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(difluoromethyl)-5-methoxy-4-pyridinyl]-6-(3-fluoro-2-oxo-1-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 171490626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).