2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine

C14H14FNO — CID 144823733

IUPAC2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
SMILESCc1cc(C)c(OCc2ccccc2)nc1F
InChIInChI=1S/C14H14FNO/c1-10-8-11(2)14(16-13(10)15)17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyVFNVEFAFVXFXIQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.42
Rot. Bonds3

About 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine

2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine (PubChem CID 144823733) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine.

Molecular Properties

Compound Name2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
PubChem CID144823733
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
SMILESCc1cc(C)c(OCc2ccccc2)nc1F
InChIInChI=1S/C14H14FNO/c1-10-8-11(2)14(16-13(10)15)17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyVFNVEFAFVXFXIQ-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.42
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-bromo-3-fluoro-6-methyl-5-phenylmethoxypyrazine
CID 122543842
7-chloro-3-methyl-2-phenylmethoxy-1,8-naphthyridine
CID 21073267
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
(1R)-1-(5-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-ol
CID 124501397
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine?
The IUPAC name of 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine (CID 144823733) is 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine.
What is the SMILES notation for 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine?
The canonical SMILES for 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine is Cc1cc(C)c(OCc2ccccc2)nc1F.
What is the InChIKey of 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine?
The InChIKey is VFNVEFAFVXFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-8-11(2)14(16-13(10)15)17-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine?
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine has a molecular weight of 231.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine is sourced from PubChem (CID 144823733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).