6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C19H10F5N3O4 — CID 90459277

IUPAC6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C19H10F5N3O4/c20-12-5-11(6-13(21)7-12)15-3-1-10(9-25-15)18(28)26-14-2-4-17(31-19(22,23)24)16(8-14)27(29)30/h1-9H,(H,26,28)
InChIKeyJIYHZXPYKBQYEF-UHFFFAOYSA-N
MW439.30 g/mol
LogP5.09
Rot. Bonds5

About 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 90459277) has the molecular formula C19H10F5N3O4 and a molecular weight of 439.30 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID90459277
Molecular FormulaC19H10F5N3O4
Molecular Weight439.30 g/mol
Exact Mass439.06
IUPAC Name6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C19H10F5N3O4/c20-12-5-11(6-13(21)7-12)15-3-1-10(9-25-15)18(28)26-14-2-4-17(31-19(22,23)24)16(8-14)27(29)30/h1-9H,(H,26,28)
InChIKeyJIYHZXPYKBQYEF-UHFFFAOYSA-N
XLogP5.09
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
CID 90459921
[3-nitro-4-(trifluoromethoxy)phenyl]thiourea
CID 169360068
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
N-[3-cyano-4-(trifluoromethoxy)phenyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 122150604
6-(3-fluorophenyl)-N-[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)but-3-enoylamino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 163650655
2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160702086
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 90459277) is 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2cc(F)cc(F)c2)nc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is JIYHZXPYKBQYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N3O4/c20-12-5-11(6-13(21)7-12)15-3-1-10(9-25-15)18(28)26-14-2-4-17(31-19(22,23)24)16(8-14)27(29)30/h1-9H,(H,26,28).
What are the key properties of 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 439.30 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 90459277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).