2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine

C9H14FN — CID 135127173

IUPAC2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
SMILESCC(C)C1=CC=NC(C)(F)C1
InChIInChI=1S/C9H14FN/c1-7(2)8-4-5-11-9(3,10)6-8/h4-5,7H,6H2,1-3H3
InChIKeyHAJAEGXEFWAVDC-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.73
Rot. Bonds1

About 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine

2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine (PubChem CID 135127173) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine.

Molecular Properties

Compound Name2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
PubChem CID135127173
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
SMILESCC(C)C1=CC=NC(C)(F)C1
InChIInChI=1S/C9H14FN/c1-7(2)8-4-5-11-9(3,10)6-8/h4-5,7H,6H2,1-3H3
InChIKeyHAJAEGXEFWAVDC-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
(3S)-4-ethyl-3-fluoro-2,3-dihydropyridine
CID 134404676
5-Fluoro-4-propan-2-yl-2,3-dihydropyridine
CID 142520477
5-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 153667609
3-(Cyclopropylmethyl)-2-fluoro-2,3-dihydropyridine
CID 164087219
8-Fluoro-4-propan-2-yl-6,7-dihydroquinoline
CID 168883126
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
5-[3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2,3-dihydropyridine
CID 143484812
3-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 144060454
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
CID 144096701

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine?
The IUPAC name of 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine (CID 135127173) is 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine.
What is the SMILES notation for 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine?
The canonical SMILES for 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine is CC(C)C1=CC=NC(C)(F)C1.
What is the InChIKey of 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine?
The InChIKey is HAJAEGXEFWAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)8-4-5-11-9(3,10)6-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine?
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine has a molecular weight of 155.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine is sourced from PubChem (CID 135127173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).