4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde

C12H10N2O2 — CID 132587651

IUPAC4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1OCc1ccccn1
InChIInChI=1S/C12H10N2O2/c15-8-10-7-13-6-4-12(10)16-9-11-3-1-2-5-14-11/h1-8H,9H2
InChIKeyAUIBSRMQOMAPKW-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.87
Rot. Bonds4

About 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde

4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde (PubChem CID 132587651) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
PubChem CID132587651
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1OCc1ccccn1
InChIInChI=1S/C12H10N2O2/c15-8-10-7-13-6-4-12(10)16-9-11-3-1-2-5-14-11/h1-8H,9H2
InChIKeyAUIBSRMQOMAPKW-UHFFFAOYSA-N
XLogP1.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-(pyridin-2-ylmethoxy)benzaldehyde
CID 140945172
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
CID 13115153
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
(E)-3-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769761
[4-(pyridin-2-ylmethoxy)phenyl]methyl (E)-3-(4-methyl-3-pyridinyl)prop-2-enoate
CID 167814876
5-chloro-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699555
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
3-(methoxymethoxy)pyridine-4-carbaldehyde
CID 45091058
2-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)benzaldehyde
CID 708797

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde (CID 132587651) is 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde is O=Cc1cnccc1OCc1ccccn1.
What is the InChIKey of 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde?
The InChIKey is AUIBSRMQOMAPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-8-10-7-13-6-4-12(10)16-9-11-3-1-2-5-14-11/h1-8H,9H2.
What are the key properties of 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde?
4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 132587651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).