methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate

C14H10N2O3 — CID 141272491

IUPACmethyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(C=O)nc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10N2O3/c1-19-14(18)10-6-8(7-17)15-12-9-4-2-3-5-11(9)16-13(10)12/h2-7,16H,1H3
InChIKeyLCCDSSVKYOHLLA-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.32
Rot. Bonds2

About methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate

methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 141272491) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID141272491
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Namemethyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(C=O)nc2c1[nH]c1ccccc12
InChIInChI=1S/C14H10N2O3/c1-19-14(18)10-6-8(7-17)15-12-9-4-2-3-5-11(9)16-13(10)12/h2-7,16H,1H3
InChIKeyLCCDSSVKYOHLLA-UHFFFAOYSA-N
XLogP2.32
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
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
methyl 2-bromo-7-chloro-5H-pyrido[3,2-b]indole-4-carboxylate
CID 86663042
ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 138968962
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
methyl 10-bromo-5,12-dihydroindolo[3,2-c]carbazole-6-carboxylate
CID 102593234
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66605654

Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate (CID 141272491) is methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(C=O)nc2c1[nH]c1ccccc12.
What is the InChIKey of methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is LCCDSSVKYOHLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-14(18)10-6-8(7-17)15-12-9-4-2-3-5-11(9)16-13(10)12/h2-7,16H,1H3.
What are the key properties of methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate?
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 141272491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).