2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine

C13H10Cl2FNO — CID 116689772

IUPAC2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
SMILESCc1cc(CCl)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H10Cl2FNO/c1-8-5-9(7-14)6-12(17-8)18-11-4-2-3-10(15)13(11)16/h2-6H,7H2,1H3
InChIKeySQYXMIGAXBUZQB-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.71
Rot. Bonds3

About 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine

2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine (PubChem CID 116689772) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
PubChem CID116689772
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
SMILESCc1cc(CCl)cc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H10Cl2FNO/c1-8-5-9(7-14)6-12(17-8)18-11-4-2-3-10(15)13(11)16/h2-6H,7H2,1H3
InChIKeySQYXMIGAXBUZQB-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
CID 113378896
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine?
The IUPAC name of 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine (CID 116689772) is 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine?
The canonical SMILES for 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine is Cc1cc(CCl)cc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine?
The InChIKey is SQYXMIGAXBUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c1-8-5-9(7-14)6-12(17-8)18-11-4-2-3-10(15)13(11)16/h2-6H,7H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine?
2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine has a molecular weight of 286.13 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine is sourced from PubChem (CID 116689772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).