6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde

C12H11N3O2 — CID 160957949

IUPAC6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde
SMILESCc1cccc(C=O)n1.O=Cc1ncccn1
InChIInChI=1S/C7H7NO.C5H4N2O/c1-6-3-2-4-7(5-9)8-6;8-4-5-6-2-1-3-7-5/h2-5H,1H3;1-4H
InChIKeySWQHOMQAXYKGHJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.49
Rot. Bonds2

About 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde

6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde (PubChem CID 160957949) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde
PubChem CID160957949
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde
SMILESCc1cccc(C=O)n1.O=Cc1ncccn1
InChIInChI=1S/C7H7NO.C5H4N2O/c1-6-3-2-4-7(5-9)8-6;8-4-5-6-2-1-3-7-5/h2-5H,1H3;1-4H
InChIKeySWQHOMQAXYKGHJ-UHFFFAOYSA-N
XLogP1.49
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(trideuteriomethyl)pyridine-2-carbaldehyde
CID 169443804
2-methyl-6-[(Z)-2-pyridin-2-ylethenyl]pyridine
CID 141005556
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
CID 86013338
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
(6-methyl-2-pyridinyl)methanimine
CID 56972331
2,6-dimethylpyridine;ethane
CID 54453947
2,6-dimethylpyridine;sulfane
CID 134564621
but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
ethane;(6-methyl-2-pyridinyl)methanimine
CID 91555780
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016

Frequently Asked Questions

What is the IUPAC name of 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde?
The IUPAC name of 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde (CID 160957949) is 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde is Cc1cccc(C=O)n1.O=Cc1ncccn1.
What is the InChIKey of 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde?
The InChIKey is SWQHOMQAXYKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C5H4N2O/c1-6-3-2-4-7(5-9)8-6;8-4-5-6-2-1-3-7-5/h2-5H,1H3;1-4H.
What are the key properties of 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde?
6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde has a molecular weight of 229.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridine-2-carbaldehyde;pyrimidine-2-carbaldehyde is sourced from PubChem (CID 160957949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).