1-nitro-7-(trifluoromethyl)-9H-carbazole

C13H7F3N2O2 — CID 68927273

IUPAC1-nitro-7-(trifluoromethyl)-9H-carbazole
SMILESO=[N+]([O-])c1cccc2c1[nH]c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-8-9-2-1-3-11(18(19)20)12(9)17-10(8)6-7/h1-6,17H
InChIKeyREVDSSMTIYXANU-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.25
Rot. Bonds1

About 1-nitro-7-(trifluoromethyl)-9H-carbazole

1-nitro-7-(trifluoromethyl)-9H-carbazole (PubChem CID 68927273) has the molecular formula C13H7F3N2O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-nitro-7-(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name1-nitro-7-(trifluoromethyl)-9H-carbazole
PubChem CID68927273
Molecular FormulaC13H7F3N2O2
Molecular Weight280.21 g/mol
Exact Mass280.05
IUPAC Name1-nitro-7-(trifluoromethyl)-9H-carbazole
SMILESO=[N+]([O-])c1cccc2c1[nH]c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-8-9-2-1-3-11(18(19)20)12(9)17-10(8)6-7/h1-6,17H
InChIKeyREVDSSMTIYXANU-UHFFFAOYSA-N
XLogP4.25
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
8-nitro-2-[3-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 58552922
17-(trifluoromethyl)-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15(20),16,18-octaene-3,5-dione
CID 11759995
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
12-naphthalen-1-yl-7-(trifluoromethyl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 172794735
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
6-fluoro-3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 135836832
2-methyl-3-nitro-5-[3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 174962946
1,3-dinitro-2-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 22950728
4-(4-bromophenyl)-8-nitro-1H-quinolin-2-one
CID 118728040
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784

Frequently Asked Questions

What is the IUPAC name of 1-nitro-7-(trifluoromethyl)-9H-carbazole?
The IUPAC name of 1-nitro-7-(trifluoromethyl)-9H-carbazole (CID 68927273) is 1-nitro-7-(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 1-nitro-7-(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 1-nitro-7-(trifluoromethyl)-9H-carbazole is O=[N+]([O-])c1cccc2c1[nH]c1cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-nitro-7-(trifluoromethyl)-9H-carbazole?
The InChIKey is REVDSSMTIYXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2/c14-13(15,16)7-4-5-8-9-2-1-3-11(18(19)20)12(9)17-10(8)6-7/h1-6,17H.
What are the key properties of 1-nitro-7-(trifluoromethyl)-9H-carbazole?
1-nitro-7-(trifluoromethyl)-9H-carbazole has a molecular weight of 280.21 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-7-(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 68927273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).