methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate

C19H14ClFN2O2 — CID 68762552

IUPACmethyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C19H14ClFN2O2/c1-25-19(24)14-8-9-22-11-18(14)23-17-7-6-12(10-16(17)21)13-4-2-3-5-15(13)20/h2-11,23H,1H3
InChIKeyFICUICDWRVKLIN-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.07
Rot. Bonds4

About methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate

methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate (PubChem CID 68762552) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
PubChem CID68762552
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Namemethyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C19H14ClFN2O2/c1-25-19(24)14-8-9-22-11-18(14)23-17-7-6-12(10-16(17)21)13-4-2-3-5-15(13)20/h2-11,23H,1H3
InChIKeyFICUICDWRVKLIN-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68763008
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
7-(2-chlorophenyl)-3,4-dihydro-2H-chromene;ethane;methyl 3-(methylamino)pyridine-4-carboxylate
CID 144986998
lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
CID 24987185
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
CID 118969987
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate (CID 68762552) is methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1ccc(-c2ccccc2Cl)cc1F.
What is the InChIKey of methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The InChIKey is FICUICDWRVKLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c1-25-19(24)14-8-9-22-11-18(14)23-17-7-6-12(10-16(17)21)13-4-2-3-5-15(13)20/h2-11,23H,1H3.
What are the key properties of methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate?
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate has a molecular weight of 356.78 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate is sourced from PubChem (CID 68762552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).