2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine

C13H11ClFNO — CID 107169110

IUPAC2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2Cl)cc1F
InChIInChI=1S/C13H11ClFNO/c1-9-4-5-11(7-12(9)15)17-8-10-3-2-6-16-13(10)14/h2-7H,8H2,1H3
InChIKeyIEZRMDWLOXUTIP-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.76
Rot. Bonds3

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

2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine (PubChem CID 107169110) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
PubChem CID107169110
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
SMILESCc1ccc(OCc2cccnc2Cl)cc1F
InChIInChI=1S/C13H11ClFNO/c1-9-4-5-11(7-12(9)15)17-8-10-3-2-6-16-13(10)14/h2-7H,8H2,1H3
InChIKeyIEZRMDWLOXUTIP-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
CID 62471218
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
2-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 99836749
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine (CID 107169110) is 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine is Cc1ccc(OCc2cccnc2Cl)cc1F.
What is the InChIKey of 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine?
The InChIKey is IEZRMDWLOXUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-9-4-5-11(7-12(9)15)17-8-10-3-2-6-16-13(10)14/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine?
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine has a molecular weight of 251.69 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 107169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).