9-methyl-6-nitrocarbazole-3-carbaldehyde

C14H10N2O3 — CID 23559399

IUPAC9-methyl-6-nitrocarbazole-3-carbaldehyde
SMILESCn1c2ccc(C=O)cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H10N2O3/c1-15-13-4-2-9(8-17)6-11(13)12-7-10(16(18)19)3-5-14(12)15/h2-8H,1H3
InChIKeyCZZXLHLFLMZMER-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.05
Rot. Bonds2

About 9-methyl-6-nitrocarbazole-3-carbaldehyde

9-methyl-6-nitrocarbazole-3-carbaldehyde (PubChem CID 23559399) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 9-methyl-6-nitrocarbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-6-nitrocarbazole-3-carbaldehyde
PubChem CID23559399
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name9-methyl-6-nitrocarbazole-3-carbaldehyde
SMILESCn1c2ccc(C=O)cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H10N2O3/c1-15-13-4-2-9(8-17)6-11(13)12-7-10(16(18)19)3-5-14(12)15/h2-8H,1H3
InChIKeyCZZXLHLFLMZMER-UHFFFAOYSA-N
XLogP3.05
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
methyl 3-formyl-1-methyl-5-nitroindole-2-carboxylate
CID 154721985
(NE)-N-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]hydroxylamine
CID 6872352
1-methyl-6-nitroindole-2-carbaldehyde
CID 105455916
9-methoxy-3,6-dinitrocarbazole
CID 155908521
CID 175409039
CID 175409039
2,5-dimethyl-8-nitro-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 82232102
4-(ethylamino)-1-methyl-6-nitroquinolin-2-one
CID 135385757
9-methylcarbazole-2-carbaldehyde
CID 3152662
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
(4E)-4-[(9-methylcarbazol-3-yl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
CID 101179817

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-nitrocarbazole-3-carbaldehyde?
The IUPAC name of 9-methyl-6-nitrocarbazole-3-carbaldehyde (CID 23559399) is 9-methyl-6-nitrocarbazole-3-carbaldehyde.
What is the SMILES notation for 9-methyl-6-nitrocarbazole-3-carbaldehyde?
The canonical SMILES for 9-methyl-6-nitrocarbazole-3-carbaldehyde is Cn1c2ccc(C=O)cc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 9-methyl-6-nitrocarbazole-3-carbaldehyde?
The InChIKey is CZZXLHLFLMZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-15-13-4-2-9(8-17)6-11(13)12-7-10(16(18)19)3-5-14(12)15/h2-8H,1H3.
What are the key properties of 9-methyl-6-nitrocarbazole-3-carbaldehyde?
9-methyl-6-nitrocarbazole-3-carbaldehyde has a molecular weight of 254.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-nitrocarbazole-3-carbaldehyde is sourced from PubChem (CID 23559399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).