(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate

C17H17F2NO2 — CID 143043409

IUPAC(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate
SMILESCc1nc(CC(C)C)ccc1C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-10(2)9-12-7-8-13(11(3)20-12)17(21)22-16-14(18)5-4-6-15(16)19/h4-8,10H,9H2,1-3H3
InChIKeyCEYLAPLYVYBXQR-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.09
Rot. Bonds4

About (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate

(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate (PubChem CID 143043409) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate
PubChem CID143043409
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate
SMILESCc1nc(CC(C)C)ccc1C(=O)Oc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-10(2)9-12-7-8-13(11(3)20-12)17(21)22-16-14(18)5-4-6-15(16)19/h4-8,10H,9H2,1-3H3
InChIKeyCEYLAPLYVYBXQR-UHFFFAOYSA-N
XLogP4.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
CID 13240387
(2,6-difluorophenyl) 2-oxo-2-[tris(2-methylpropyl)silylperoxy]acetate
CID 102002469
2-[[(2R)-1-(2,6-difluorophenoxy)propan-2-yl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 167880701
3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243060
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
ethyl 2-(difluoromethoxy)-3-fluorobenzoate
CID 170997086
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 176958466
1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
CID 105077565
2-methylpropyl 2,6-difluorobenzoate
CID 587969

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate?
The IUPAC name of (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate (CID 143043409) is (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate.
What is the SMILES notation for (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate?
The canonical SMILES for (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate is Cc1nc(CC(C)C)ccc1C(=O)Oc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate?
The InChIKey is CEYLAPLYVYBXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-10(2)9-12-7-8-13(11(3)20-12)17(21)22-16-14(18)5-4-6-15(16)19/h4-8,10H,9H2,1-3H3.
What are the key properties of (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate?
(2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate has a molecular weight of 305.32 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) 2-methyl-6-(2-methylpropyl)pyridine-3-carboxylate is sourced from PubChem (CID 143043409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).