4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine

C12H8Cl2FNO — CID 82716789

IUPAC4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
SMILESFc1cc(OCc2cc(Cl)ccn2)ccc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2
InChIKeyIYNPXTMLUWXLJX-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.11
Rot. Bonds3

About 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine

4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine (PubChem CID 82716789) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
PubChem CID82716789
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
SMILESFc1cc(OCc2cc(Cl)ccn2)ccc1Cl
InChIInChI=1S/C12H8Cl2FNO/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2
InChIKeyIYNPXTMLUWXLJX-UHFFFAOYSA-N
XLogP4.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
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CID 104514281
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
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CID 91656484
4-[(4-chloro-2-pyridinyl)methoxy]benzamide
CID 79255855
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
CID 82005069
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine?
The IUPAC name of 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine (CID 82716789) is 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine?
The canonical SMILES for 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine is Fc1cc(OCc2cc(Cl)ccn2)ccc1Cl.
What is the InChIKey of 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine?
The InChIKey is IYNPXTMLUWXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-8-3-4-16-9(5-8)7-17-10-1-2-11(14)12(15)6-10/h1-6H,7H2.
What are the key properties of 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine?
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine has a molecular weight of 272.11 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine is sourced from PubChem (CID 82716789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).