methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate

C13H10F2N2O2 — CID 90092866

IUPACmethyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1Nc1cccc(F)c1
InChIInChI=1S/C13H10F2N2O2/c1-19-13(18)11-6-9(15)7-16-12(11)17-10-4-2-3-8(14)5-10/h2-7H,1H3,(H,16,17)
InChIKeyWCRIZZYXXSUWHB-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.89
Rot. Bonds3

About methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate

methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate (PubChem CID 90092866) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
PubChem CID90092866
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Namemethyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1Nc1cccc(F)c1
InChIInChI=1S/C13H10F2N2O2/c1-19-13(18)11-6-9(15)7-16-12(11)17-10-4-2-3-8(14)5-10/h2-7H,1H3,(H,16,17)
InChIKeyWCRIZZYXXSUWHB-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-5-fluoropyridine-3-carboxylate
CID 166514049
5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509443
5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118392722
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
methyl 4-(3-cyanoanilino)pyrimidine-5-carboxylate
CID 114214005
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate (CID 90092866) is methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate is COC(=O)c1cc(F)cnc1Nc1cccc(F)c1.
What is the InChIKey of methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is WCRIZZYXXSUWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-19-13(18)11-6-9(15)7-16-12(11)17-10-4-2-3-8(14)5-10/h2-7H,1H3,(H,16,17).
What are the key properties of methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate?
methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 90092866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).