4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine

C11H15ClFNO — CID 105383887

IUPAC4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
SMILESCC(C)C(C)Oc1nccc(CCl)c1F
InChIInChI=1S/C11H15ClFNO/c1-7(2)8(3)15-11-10(13)9(6-12)4-5-14-11/h4-5,7-8H,6H2,1-3H3
InChIKeySKZSYXPSHFNNSY-UHFFFAOYSA-N
MW231.70 g/mol
LogP3.38
Rot. Bonds4

About 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine

4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine (PubChem CID 105383887) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
PubChem CID105383887
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
SMILESCC(C)C(C)Oc1nccc(CCl)c1F
InChIInChI=1S/C11H15ClFNO/c1-7(2)8(3)15-11-10(13)9(6-12)4-5-14-11/h4-5,7-8H,6H2,1-3H3
InChIKeySKZSYXPSHFNNSY-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 53.38
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

2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 105383838
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine (CID 105383887) is 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine is CC(C)C(C)Oc1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?
The InChIKey is SKZSYXPSHFNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(2)8(3)15-11-10(13)9(6-12)4-5-14-11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine?
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine has a molecular weight of 231.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine is sourced from PubChem (CID 105383887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).