2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid

C21H23F3N2O5 — CID 166161239

IUPAC2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CC(C(=O)Nc2ccnc(C(=O)O)c2)OC1C.COc1cccc(F)c1C(F)F
InChIInChI=1S/C13H16N2O4.C8H7F3O/c1-7-5-11(19-8(7)2)12(16)15-9-3-4-14-10(6-9)13(17)18;1-12-6-4-2-3-5(9)7(6)8(10)11/h3-4,6-8,11H,5H2,1-2H3,(H,17,18)(H,14,15,16);2-4,8H,1H3
InChIKeyDMUXFVTVKDBDFX-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.30
Rot. Bonds5

About 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid

2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 166161239) has the molecular formula C21H23F3N2O5 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID166161239
Molecular FormulaC21H23F3N2O5
Molecular Weight440.42 g/mol
Exact Mass440.16
IUPAC Name2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CC(C(=O)Nc2ccnc(C(=O)O)c2)OC1C.COc1cccc(F)c1C(F)F
InChIInChI=1S/C13H16N2O4.C8H7F3O/c1-7-5-11(19-8(7)2)12(16)15-9-3-4-14-10(6-9)13(17)18;1-12-6-4-2-3-5(9)7(6)8(10)11/h3-4,6-8,11H,5H2,1-2H3,(H,17,18)(H,14,15,16);2-4,8H,1H3
InChIKeyDMUXFVTVKDBDFX-UHFFFAOYSA-N
XLogP4.30
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 156750138
2-(difluoromethyl)-1-fluoro-3-methoxybenzene;5-methyl-N-[2-(4-methyl-2-oxopiperazin-1-yl)-4-pyridinyl]oxolane-2-carboxamide
CID 166160960
6-[2-(2,3-difluorophenoxy)ethyl]-2-oxa-6-azaspiro[3.3]heptane;4-[[(4S)-4,5-dimethyloxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 166159356
4,5-dimethyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide
CID 171794687
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
1,2-difluoro-3-(2-methoxyethoxy)benzene;(4S)-N-[6-(1-hydroxy-2-methoxyethyl)-3-pyridinyl]-4,5-dimethyloxolane-2-carboxamide
CID 166159999
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
4-[[(2R,4R,5S)-4-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 156750142
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 166161239) is 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid is CC1CC(C(=O)Nc2ccnc(C(=O)O)c2)OC1C.COc1cccc(F)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DMUXFVTVKDBDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4.C8H7F3O/c1-7-5-11(19-8(7)2)12(16)15-9-3-4-14-10(6-9)13(17)18;1-12-6-4-2-3-5(9)7(6)8(10)11/h3-4,6-8,11H,5H2,1-2H3,(H,17,18)(H,14,15,16);2-4,8H,1H3.
What are the key properties of 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid?
2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 440.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-fluoro-3-methoxybenzene;4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 166161239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).