3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide

C18H23FN2O2 — CID 142415178

IUPAC3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide
SMILESCCCCCc1ccc(Oc2ncc(C)cc2F)cc1.NC=O
InChIInChI=1S/C17H20FNO.CH3NO/c1-3-4-5-6-14-7-9-15(10-8-14)20-17-16(18)11-13(2)12-19-17;2-1-3/h7-12H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyVDTDAMBYBWVVKC-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.16
Rot. Bonds6

About 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide

3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide (PubChem CID 142415178) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide
PubChem CID142415178
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide
SMILESCCCCCc1ccc(Oc2ncc(C)cc2F)cc1.NC=O
InChIInChI=1S/C17H20FNO.CH3NO/c1-3-4-5-6-14-7-9-15(10-8-14)20-17-16(18)11-13(2)12-19-17;2-1-3/h7-12H,3-6H2,1-2H3;1H,(H2,2,3)
InChIKeyVDTDAMBYBWVVKC-UHFFFAOYSA-N
XLogP4.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
CID 146305775
5-methyl-2-(4-propylphenoxy)pyridin-3-amine
CID 66281105
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-hexylphenoxy)benzaldehyde
CID 142415162
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide?
The IUPAC name of 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide (CID 142415178) is 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide.
What is the SMILES notation for 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide?
The canonical SMILES for 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide is CCCCCc1ccc(Oc2ncc(C)cc2F)cc1.NC=O.
What is the InChIKey of 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide?
The InChIKey is VDTDAMBYBWVVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.CH3NO/c1-3-4-5-6-14-7-9-15(10-8-14)20-17-16(18)11-13(2)12-19-17;2-1-3/h7-12H,3-6H2,1-2H3;1H,(H2,2,3).
What are the key properties of 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide?
3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide has a molecular weight of 318.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(4-pentylphenoxy)pyridine;formamide is sourced from PubChem (CID 142415178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).