2-fluoro-3-(2-methylbutan-2-yl)pyridine

C10H14FN — CID 146620582

IUPAC2-fluoro-3-(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cccnc1F
InChIInChI=1S/C10H14FN/c1-4-10(2,3)8-6-5-7-12-9(8)11/h5-7H,4H2,1-3H3
InChIKeyWJBXVZIPIAMAGY-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.91
Rot. Bonds2

About 2-fluoro-3-(2-methylbutan-2-yl)pyridine

2-fluoro-3-(2-methylbutan-2-yl)pyridine (PubChem CID 146620582) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylbutan-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(2-methylbutan-2-yl)pyridine
PubChem CID146620582
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-3-(2-methylbutan-2-yl)pyridine
SMILESCCC(C)(C)c1cccnc1F
InChIInChI=1S/C10H14FN/c1-4-10(2,3)8-6-5-7-12-9(8)11/h5-7H,4H2,1-3H3
InChIKeyWJBXVZIPIAMAGY-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
2-ethynyl-3-(2-methylbutan-2-yl)pyridine
CID 129132633
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
CID 133060408
2-[2-fluoro-6-(2-methylbutan-2-yl)phenyl]-1,3-oxazole
CID 146480858
3-tert-butyl-2-ethylpyridine
CID 20664467
3-ethoxy-2-fluoropyridine
CID 11355527
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
ethane;3-ethoxy-2-fluoropyridine
CID 144753234

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methylbutan-2-yl)pyridine?
The IUPAC name of 2-fluoro-3-(2-methylbutan-2-yl)pyridine (CID 146620582) is 2-fluoro-3-(2-methylbutan-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(2-methylbutan-2-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(2-methylbutan-2-yl)pyridine is CCC(C)(C)c1cccnc1F.
What is the InChIKey of 2-fluoro-3-(2-methylbutan-2-yl)pyridine?
The InChIKey is WJBXVZIPIAMAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-4-10(2,3)8-6-5-7-12-9(8)11/h5-7H,4H2,1-3H3.
What are the key properties of 2-fluoro-3-(2-methylbutan-2-yl)pyridine?
2-fluoro-3-(2-methylbutan-2-yl)pyridine has a molecular weight of 167.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylbutan-2-yl)pyridine is sourced from PubChem (CID 146620582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).