1-methylperimidine-6-carbaldehyde

C13H10N2O — CID 86258817

IUPAC1-methylperimidine-6-carbaldehyde
SMILESCN1C=Nc2ccc(C=O)c3cccc1c23
InChIInChI=1S/C13H10N2O/c1-15-8-14-11-6-5-9(7-16)10-3-2-4-12(15)13(10)11/h2-8H,1H3
InChIKeyKBARHZITESGWQJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.76
Rot. Bonds1

About 1-methylperimidine-6-carbaldehyde

1-methylperimidine-6-carbaldehyde (PubChem CID 86258817) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-methylperimidine-6-carbaldehyde.

Molecular Properties

Compound Name1-methylperimidine-6-carbaldehyde
PubChem CID86258817
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-methylperimidine-6-carbaldehyde
SMILESCN1C=Nc2ccc(C=O)c3cccc1c23
InChIInChI=1S/C13H10N2O/c1-15-8-14-11-6-5-9(7-16)10-3-2-4-12(15)13(10)11/h2-8H,1H3
InChIKeyKBARHZITESGWQJ-UHFFFAOYSA-N
XLogP2.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-dithiatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-7-carbaldehyde
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4-hydroxy-5-methylnaphthalene-1-carbaldehyde
CID 14986452
1-methyl-3-phenylindazole-7-carbaldehyde
CID 105497737
4,5-bis(dipropylamino)naphthalene-1-carbaldehyde
CID 87392151
2,3-dimethylindazole-4-carbaldehyde
CID 84717514
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
quinoline-5-carbaldehyde;hydrochloride
CID 174461977
1-methylindole-3,7-dicarbaldehyde
CID 59731130
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbaldehyde
CID 88895903
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
4-bromonaphthalene-1-carbaldehyde;1,4-dibromonaphthalene;ethane
CID 158185704

Frequently Asked Questions

What is the IUPAC name of 1-methylperimidine-6-carbaldehyde?
The IUPAC name of 1-methylperimidine-6-carbaldehyde (CID 86258817) is 1-methylperimidine-6-carbaldehyde.
What is the SMILES notation for 1-methylperimidine-6-carbaldehyde?
The canonical SMILES for 1-methylperimidine-6-carbaldehyde is CN1C=Nc2ccc(C=O)c3cccc1c23.
What is the InChIKey of 1-methylperimidine-6-carbaldehyde?
The InChIKey is KBARHZITESGWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-15-8-14-11-6-5-9(7-16)10-3-2-4-12(15)13(10)11/h2-8H,1H3.
What are the key properties of 1-methylperimidine-6-carbaldehyde?
1-methylperimidine-6-carbaldehyde has a molecular weight of 210.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylperimidine-6-carbaldehyde is sourced from PubChem (CID 86258817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).