2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde

C13H10ClNO2 — CID 89247019

IUPAC2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2cccnc2)cc1Cl
InChIInChI=1S/C13H10ClNO2/c14-13-6-12(4-3-11(13)8-16)17-9-10-2-1-5-15-7-10/h1-8H,9H2
InChIKeyLGOOWHLGHLSVHG-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.13
Rot. Bonds4

About 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde

2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 89247019) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID89247019
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCc2cccnc2)cc1Cl
InChIInChI=1S/C13H10ClNO2/c14-13-6-12(4-3-11(13)8-16)17-9-10-2-1-5-15-7-10/h1-8H,9H2
InChIKeyLGOOWHLGHLSVHG-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.13
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

2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
CID 121004514
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde (CID 89247019) is 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde is O=Cc1ccc(OCc2cccnc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is LGOOWHLGHLSVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-13-6-12(4-3-11(13)8-16)17-9-10-2-1-5-15-7-10/h1-8H,9H2.
What are the key properties of 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde?
2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde has a molecular weight of 247.68 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 89247019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).