2-[(3,4-dichlorophenoxy)methyl]pyridine

C12H9Cl2NO — CID 174779615

IUPAC2-[(3,4-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccccn2)cc1Cl
InChIInChI=1S/C12H9Cl2NO/c13-11-5-4-10(7-12(11)14)16-8-9-3-1-2-6-15-9/h1-7H,8H2
InChIKeyGYHURWXJPJJHNG-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.97
Rot. Bonds3

About 2-[(3,4-dichlorophenoxy)methyl]pyridine

2-[(3,4-dichlorophenoxy)methyl]pyridine (PubChem CID 174779615) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenoxy)methyl]pyridine
PubChem CID174779615
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name2-[(3,4-dichlorophenoxy)methyl]pyridine
SMILESClc1ccc(OCc2ccccn2)cc1Cl
InChIInChI=1S/C12H9Cl2NO/c13-11-5-4-10(7-12(11)14)16-8-9-3-1-2-6-15-9/h1-7H,8H2
InChIKeyGYHURWXJPJJHNG-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
1,2-dichloro-4-[(2-ethylphenyl)methoxy]benzene
CID 70995719
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
1-[3,5-dichloro-4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1,2,4-triazole-3,5-diamine
CID 118624894
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]pyridine?
The IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]pyridine (CID 174779615) is 2-[(3,4-dichlorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(3,4-dichlorophenoxy)methyl]pyridine?
The canonical SMILES for 2-[(3,4-dichlorophenoxy)methyl]pyridine is Clc1ccc(OCc2ccccn2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenoxy)methyl]pyridine?
The InChIKey is GYHURWXJPJJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-11-5-4-10(7-12(11)14)16-8-9-3-1-2-6-15-9/h1-7H,8H2.
What are the key properties of 2-[(3,4-dichlorophenoxy)methyl]pyridine?
2-[(3,4-dichlorophenoxy)methyl]pyridine has a molecular weight of 254.12 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenoxy)methyl]pyridine is sourced from PubChem (CID 174779615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).