2-methyl-4-pyridin-3-yloxybenzaldehyde

C13H11NO2 — CID 62135095

IUPAC2-methyl-4-pyridin-3-yloxybenzaldehyde
SMILESCc1cc(Oc2cccnc2)ccc1C=O
InChIInChI=1S/C13H11NO2/c1-10-7-12(5-4-11(10)9-15)16-13-3-2-6-14-8-13/h2-9H,1H3
InChIKeyIBMZZKAPNAJFDP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.99
Rot. Bonds3

About 2-methyl-4-pyridin-3-yloxybenzaldehyde

2-methyl-4-pyridin-3-yloxybenzaldehyde (PubChem CID 62135095) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yloxybenzaldehyde.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yloxybenzaldehyde
PubChem CID62135095
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-methyl-4-pyridin-3-yloxybenzaldehyde
SMILESCc1cc(Oc2cccnc2)ccc1C=O
InChIInChI=1S/C13H11NO2/c1-10-7-12(5-4-11(10)9-15)16-13-3-2-6-14-8-13/h2-9H,1H3
InChIKeyIBMZZKAPNAJFDP-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.99
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-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
4-(6-bromonaphthalen-2-yl)oxy-2-methylbenzaldehyde
CID 63535814
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
2-methyl-5-(4-pyridin-3-yloxy-2-pyridinyl)pyridine
CID 141419408
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane
CID 58430017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yloxybenzaldehyde?
The IUPAC name of 2-methyl-4-pyridin-3-yloxybenzaldehyde (CID 62135095) is 2-methyl-4-pyridin-3-yloxybenzaldehyde.
What is the SMILES notation for 2-methyl-4-pyridin-3-yloxybenzaldehyde?
The canonical SMILES for 2-methyl-4-pyridin-3-yloxybenzaldehyde is Cc1cc(Oc2cccnc2)ccc1C=O.
What is the InChIKey of 2-methyl-4-pyridin-3-yloxybenzaldehyde?
The InChIKey is IBMZZKAPNAJFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10-7-12(5-4-11(10)9-15)16-13-3-2-6-14-8-13/h2-9H,1H3.
What are the key properties of 2-methyl-4-pyridin-3-yloxybenzaldehyde?
2-methyl-4-pyridin-3-yloxybenzaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yloxybenzaldehyde is sourced from PubChem (CID 62135095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).