3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine

C19H10F6N2O2 — CID 134618277

IUPAC3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N2O2/c20-18(21,22)13-5-1-3-11(9-13)15-7-8-16(27(28)29)17(26-15)12-4-2-6-14(10-12)19(23,24)25/h1-10H
InChIKeyIRIIROVXQZLCNW-UHFFFAOYSA-N
MW412.29 g/mol
LogP6.36
Rot. Bonds3

About 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine

3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 134618277) has the molecular formula C19H10F6N2O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
PubChem CID134618277
Molecular FormulaC19H10F6N2O2
Molecular Weight412.29 g/mol
Exact Mass412.06
IUPAC Name3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H10F6N2O2/c20-18(21,22)13-5-1-3-11(9-13)15-7-8-16(27(28)29)17(26-15)12-4-2-6-14(10-12)19(23,24)25/h1-10H
InChIKeyIRIIROVXQZLCNW-UHFFFAOYSA-N
XLogP6.36
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.29
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
1,3-bis(3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 141365870
2-methyl-3-nitro-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 174962946
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
6-chloro-2-(3-methylphenyl)-3-nitropyridine
CID 79073948
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
1-nitro-2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134621037
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
1-(5-chloro-2-nitrophenyl)-2-[5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]ethanone
CID 157322754
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine (CID 134618277) is 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine is O=[N+]([O-])c1ccc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is IRIIROVXQZLCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N2O2/c20-18(21,22)13-5-1-3-11(9-13)15-7-8-16(27(28)29)17(26-15)12-4-2-6-14(10-12)19(23,24)25/h1-10H.
What are the key properties of 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine?
3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 412.29 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134618277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).