1-methyl-9H-carbazole-3-carbonyl chloride

C14H10ClNO — CID 151683176

IUPAC1-methyl-9H-carbazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10ClNO/c1-8-6-9(14(15)17)7-11-10-4-2-3-5-12(10)16-13(8)11/h2-7,16H,1H3
InChIKeyRAYUYKCRHCRTMA-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.01
Rot. Bonds1

About 1-methyl-9H-carbazole-3-carbonyl chloride

1-methyl-9H-carbazole-3-carbonyl chloride (PubChem CID 151683176) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-methyl-9H-carbazole-3-carbonyl chloride.

Molecular Properties

Compound Name1-methyl-9H-carbazole-3-carbonyl chloride
PubChem CID151683176
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name1-methyl-9H-carbazole-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)cc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10ClNO/c1-8-6-9(14(15)17)7-11-10-4-2-3-5-12(10)16-13(8)11/h2-7,16H,1H3
InChIKeyRAYUYKCRHCRTMA-UHFFFAOYSA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-methyl-11H-benzo[a]carbazole
CID 6454977
6-hydroxy-5,7,10-trimethyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),2,5,7,9,13,15,17-octaen-4-one
CID 91810447
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
2,3-dimethoxy-1-methyl-9H-carbazole;terephthalic acid
CID 175513931
9H-carbazole;carbonic acid
CID 67577328
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
CID 142290502
2,3,5-trimethyl-6H-thieno[3,2-c]carbazole
CID 11448489
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-carbazole-3-carbonyl chloride?
The IUPAC name of 1-methyl-9H-carbazole-3-carbonyl chloride (CID 151683176) is 1-methyl-9H-carbazole-3-carbonyl chloride.
What is the SMILES notation for 1-methyl-9H-carbazole-3-carbonyl chloride?
The canonical SMILES for 1-methyl-9H-carbazole-3-carbonyl chloride is Cc1cc(C(=O)Cl)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methyl-9H-carbazole-3-carbonyl chloride?
The InChIKey is RAYUYKCRHCRTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c1-8-6-9(14(15)17)7-11-10-4-2-3-5-12(10)16-13(8)11/h2-7,16H,1H3.
What are the key properties of 1-methyl-9H-carbazole-3-carbonyl chloride?
1-methyl-9H-carbazole-3-carbonyl chloride has a molecular weight of 243.69 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-carbazole-3-carbonyl chloride is sourced from PubChem (CID 151683176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).