1-chloro-3-nitro-9H-carbazole

C12H7ClN2O2 — CID 155673987

IUPAC1-chloro-3-nitro-9H-carbazole
SMILESO=[N+]([O-])c1cc(Cl)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H7ClN2O2/c13-10-6-7(15(16)17)5-9-8-3-1-2-4-11(8)14-12(9)10/h1-6,14H
InChIKeyOMFSENDUNXUVDC-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.88
Rot. Bonds1

About 1-chloro-3-nitro-9H-carbazole

1-chloro-3-nitro-9H-carbazole (PubChem CID 155673987) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 1-chloro-3-nitro-9H-carbazole.

Molecular Properties

Compound Name1-chloro-3-nitro-9H-carbazole
PubChem CID155673987
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name1-chloro-3-nitro-9H-carbazole
SMILESO=[N+]([O-])c1cc(Cl)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H7ClN2O2/c13-10-6-7(15(16)17)5-9-8-3-1-2-4-11(8)14-12(9)10/h1-6,14H
InChIKeyOMFSENDUNXUVDC-UHFFFAOYSA-N
XLogP3.88
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.88
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

1-chloro-6-nitro-9H-carbazole
CID 163637234
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CID 134996272
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
7-chloro-2-cyclopropyl-5-nitro-1H-indole-3-carbaldehyde
CID 98007136
7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
CID 56641148
2-chloro-1-methyl-9H-carbazole
CID 154342995
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
N-[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanesulfonamide
CID 169185930

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-nitro-9H-carbazole?
The IUPAC name of 1-chloro-3-nitro-9H-carbazole (CID 155673987) is 1-chloro-3-nitro-9H-carbazole.
What is the SMILES notation for 1-chloro-3-nitro-9H-carbazole?
The canonical SMILES for 1-chloro-3-nitro-9H-carbazole is O=[N+]([O-])c1cc(Cl)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-chloro-3-nitro-9H-carbazole?
The InChIKey is OMFSENDUNXUVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-10-6-7(15(16)17)5-9-8-3-1-2-4-11(8)14-12(9)10/h1-6,14H.
What are the key properties of 1-chloro-3-nitro-9H-carbazole?
1-chloro-3-nitro-9H-carbazole has a molecular weight of 246.65 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-nitro-9H-carbazole is sourced from PubChem (CID 155673987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).