2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde

C12H7ClN2O — CID 87140887

IUPAC2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c3nc(Cl)ccc3c2c1
InChIInChI=1S/C12H7ClN2O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H,14,15)
InChIKeyOHNDHECLFKTWIA-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde

2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde (PubChem CID 87140887) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde.

Molecular Properties

Compound Name2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
PubChem CID87140887
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c3nc(Cl)ccc3c2c1
InChIInChI=1S/C12H7ClN2O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H,14,15)
InChIKeyOHNDHECLFKTWIA-UHFFFAOYSA-N
XLogP3.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10401837
1-[4-(3-chloroanilino)-9H-pyrido[2,3-b]indol-6-yl]ethanone
CID 76322137
2-amino-4-piperidin-1-yl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 9857855
2-amino-4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10425064
1-(4-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-[2-(diethylamino)ethylsulfanyl]ethanone
CID 68737294
4-(3-aminopropylamino)-9H-pyrimido[4,5-b]indole-6-carboxamide;dihydrochloride
CID 127024093
4-(2-aminoethylamino)-9H-pyrimido[4,5-b]indole-6-carboxamide;hydrochloride
CID 127024338
2-methyl-9H-pyrido[2,3-b]indole-3-carboxamide
CID 168275583
2-propan-2-yl-9H-pyrido[2,3-b]indole-3-carboxamide
CID 168280901
2-ethyl-9H-pyrido[2,3-b]indole-3-carboxamide
CID 168292687
2-chloro-9H-pyrido[2,3-b]indole
CID 13897940
9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 18671952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The IUPAC name of 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde (CID 87140887) is 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde.
What is the SMILES notation for 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The canonical SMILES for 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde is O=Cc1ccc2[nH]c3nc(Cl)ccc3c2c1.
What is the InChIKey of 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The InChIKey is OHNDHECLFKTWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H,14,15).
What are the key properties of 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde?
2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde has a molecular weight of 230.65 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde is sourced from PubChem (CID 87140887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).