6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide

C18H12F3N3O2 — CID 90286161

IUPAC6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCOc1ccc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)cc2F)c1F
InChIInChI=1S/C18H12F3N3O2/c1-26-13-5-4-11(19)14(15(13)21)17-12(20)7-10(16(24-17)18(22)25)9-3-2-6-23-8-9/h2-8H,1H3,(H2,22,25)
InChIKeyUEPYJCKREQWSDA-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.34
Rot. Bonds4

About 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide

6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 90286161) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID90286161
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCOc1ccc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)cc2F)c1F
InChIInChI=1S/C18H12F3N3O2/c1-26-13-5-4-11(19)14(15(13)21)17-12(20)7-10(16(24-17)18(22)25)9-3-2-6-23-8-9/h2-8H,1H3,(H2,22,25)
InChIKeyUEPYJCKREQWSDA-UHFFFAOYSA-N
XLogP3.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
6-(2,6-difluorophenyl)-5-fluoro-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 66655153
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
1-(2,5-dimethoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2038592
2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 3168613
6-(2,6-difluoro-4-methylsulfonylphenyl)-5-fluoro-4-(5-hydroxyoxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 66655602
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide (CID 90286161) is 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide is COc1ccc(F)c(-c2nc(C(N)=O)c(-c3cccnc3)cc2F)c1F.
What is the InChIKey of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is UEPYJCKREQWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-26-13-5-4-11(19)14(15(13)21)17-12(20)7-10(16(24-17)18(22)25)9-3-2-6-23-8-9/h2-8H,1H3,(H2,22,25).
What are the key properties of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide?
6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 90286161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).