5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde

C17H17NO2 — CID 172651486

IUPAC5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCc1ccc(-c2ccc(OCC3CC3)cc2C=O)cn1
InChIInChI=1S/C17H17NO2/c1-12-2-5-14(9-18-12)17-7-6-16(8-15(17)10-19)20-11-13-3-4-13/h2,5-10,13H,3-4,11H2,1H3
InChIKeyBMTFJONJAJTZRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds5

About 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde

5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde (PubChem CID 172651486) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
PubChem CID172651486
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCc1ccc(-c2ccc(OCC3CC3)cc2C=O)cn1
InChIInChI=1S/C17H17NO2/c1-12-2-5-14(9-18-12)17-7-6-16(8-15(17)10-19)20-11-13-3-4-13/h2,5-10,13H,3-4,11H2,1H3
InChIKeyBMTFJONJAJTZRB-UHFFFAOYSA-N
XLogP3.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651475
5-methoxy-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651190
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
CID 79793773
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
6-(cyclobutylmethoxy)phthalazine-1,4-dione
CID 163203937
4-[[4-[(4-formylcyclohexyl)methoxy]-3-methanimidoylphenoxy]methyl]cyclohexane-1-carbaldehyde
CID 145365758
4-(cyclopropylmethoxy)-N-(6-formyl-5-methyl-7,8-dihydronaphthalen-2-yl)benzamide
CID 58111716
ethyl (E)-3-[5-butoxy-2-(3-formyl-4-pyridin-3-ylphenyl)phenyl]prop-2-enoate
CID 88943025
5-bromo-4-(cyclopropylmethoxy)-2-methylpyridine
CID 144638458
4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
CID 175665804
2-(cyclopropylmethoxy)-5-(2-nitrosophenyl)benzaldehyde
CID 155050785

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde (CID 172651486) is 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde is Cc1ccc(-c2ccc(OCC3CC3)cc2C=O)cn1.
What is the InChIKey of 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is BMTFJONJAJTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-2-5-14(9-18-12)17-7-6-16(8-15(17)10-19)20-11-13-3-4-13/h2,5-10,13H,3-4,11H2,1H3.
What are the key properties of 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde?
5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 172651486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).