4-nitro-6-(trifluoromethyl)-1H-carbazole

C13H7F3N2O2 — CID 154020776

IUPAC4-nitro-6-(trifluoromethyl)-1H-carbazole
SMILESO=[N+]([O-])C1=C2C(=Nc3ccc(C(F)(F)F)cc32)CC=C1
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-9-8(6-7)12-10(17-9)2-1-3-11(12)18(19)20/h1,3-6H,2H2
InChIKeyFGLMKQBWGWFTTD-UHFFFAOYSA-N
MW280.20 g/mol
LogP3.74
Rot. Bonds1

About 4-nitro-6-(trifluoromethyl)-1H-carbazole

4-nitro-6-(trifluoromethyl)-1H-carbazole (PubChem CID 154020776) has the molecular formula C13H7F3N2O2 and a molecular weight of 280.20 g/mol. Its IUPAC name is 4-nitro-6-(trifluoromethyl)-1H-carbazole.

Molecular Properties

Compound Name4-nitro-6-(trifluoromethyl)-1H-carbazole
PubChem CID154020776
Molecular FormulaC13H7F3N2O2
Molecular Weight280.20 g/mol
Exact Mass280.05
IUPAC Name4-nitro-6-(trifluoromethyl)-1H-carbazole
SMILESO=[N+]([O-])C1=C2C(=Nc3ccc(C(F)(F)F)cc32)CC=C1
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-9-8(6-7)12-10(17-9)2-1-3-11(12)18(19)20/h1,3-6H,2H2
InChIKeyFGLMKQBWGWFTTD-UHFFFAOYSA-N
XLogP3.74
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 53.74
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

4-methyl-6-(trifluoromethyl)-1H-carbazole
CID 154020823
3-(4-nitrophenyl)-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905598
1-methyl-4-nitro-3-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 162571887
1,3,5-trichloro-2-[2-nitro-5-(trifluoromethyl)phenyl]benzene
CID 134621035
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 20653714
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
1-[2-nitro-5-(trifluoromethyl)phenyl]-3H-pyrrol-2-one
CID 167459784
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
3-nitro-6-(trifluoromethyl)quinolin-4-amine
CID 126712327
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 4811422
1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 135052358

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-(trifluoromethyl)-1H-carbazole?
The IUPAC name of 4-nitro-6-(trifluoromethyl)-1H-carbazole (CID 154020776) is 4-nitro-6-(trifluoromethyl)-1H-carbazole.
What is the SMILES notation for 4-nitro-6-(trifluoromethyl)-1H-carbazole?
The canonical SMILES for 4-nitro-6-(trifluoromethyl)-1H-carbazole is O=[N+]([O-])C1=C2C(=Nc3ccc(C(F)(F)F)cc32)CC=C1.
What is the InChIKey of 4-nitro-6-(trifluoromethyl)-1H-carbazole?
The InChIKey is FGLMKQBWGWFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-9-8(6-7)12-10(17-9)2-1-3-11(12)18(19)20/h1,3-6H,2H2.
What are the key properties of 4-nitro-6-(trifluoromethyl)-1H-carbazole?
4-nitro-6-(trifluoromethyl)-1H-carbazole has a molecular weight of 280.20 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-(trifluoromethyl)-1H-carbazole is sourced from PubChem (CID 154020776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).