2-chloro-9H-carbazole-4-carbaldehyde

C13H8ClNO — CID 150983471

IUPAC2-chloro-9H-carbazole-4-carbaldehyde
SMILESO=Cc1cc(Cl)cc2[nH]c3ccccc3c12
InChIInChI=1S/C13H8ClNO/c14-9-5-8(7-16)13-10-3-1-2-4-11(10)15-12(13)6-9/h1-7,15H
InChIKeyLQOWLOCIYDXGKA-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.79
Rot. Bonds1

About 2-chloro-9H-carbazole-4-carbaldehyde

2-chloro-9H-carbazole-4-carbaldehyde (PubChem CID 150983471) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-chloro-9H-carbazole-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-9H-carbazole-4-carbaldehyde
PubChem CID150983471
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name2-chloro-9H-carbazole-4-carbaldehyde
SMILESO=Cc1cc(Cl)cc2[nH]c3ccccc3c12
InChIInChI=1S/C13H8ClNO/c14-9-5-8(7-16)13-10-3-1-2-4-11(10)15-12(13)6-9/h1-7,15H
InChIKeyLQOWLOCIYDXGKA-UHFFFAOYSA-N
XLogP3.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 18673614
9H-carbazole;copper
CID 159878189
4-propyl-9H-carbazole-3-carbaldehyde
CID 143973310
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
CID 4637543
9H-carbazole-1-carbaldehyde
CID 11745551
N-(9H-carbazol-4-yl)formamide
CID 174728433
9H-carbazole
CID 66668984
14-(4-chlorophenyl)-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 135018011
bis(9H-carbazole);platinum(2+)
CID 175826437
6-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione;cyclopentane-1,2-diol
CID 142254288
9H-carbazole;sulfuryl dichloride
CID 158008992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9H-carbazole-4-carbaldehyde?
The IUPAC name of 2-chloro-9H-carbazole-4-carbaldehyde (CID 150983471) is 2-chloro-9H-carbazole-4-carbaldehyde.
What is the SMILES notation for 2-chloro-9H-carbazole-4-carbaldehyde?
The canonical SMILES for 2-chloro-9H-carbazole-4-carbaldehyde is O=Cc1cc(Cl)cc2[nH]c3ccccc3c12.
What is the InChIKey of 2-chloro-9H-carbazole-4-carbaldehyde?
The InChIKey is LQOWLOCIYDXGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-9-5-8(7-16)13-10-3-1-2-4-11(10)15-12(13)6-9/h1-7,15H.
What are the key properties of 2-chloro-9H-carbazole-4-carbaldehyde?
2-chloro-9H-carbazole-4-carbaldehyde has a molecular weight of 229.67 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9H-carbazole-4-carbaldehyde is sourced from PubChem (CID 150983471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).