2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine

C9H14FN — CID 134243659

IUPAC2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
SMILESCC1=CC(C(C)C)=CC(F)N1
InChIInChI=1S/C9H14FN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6,9,11H,1-3H3
InChIKeyZXGDEDNHPOJTDE-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.37
Rot. Bonds1

About 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine

2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine (PubChem CID 134243659) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
PubChem CID134243659
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
SMILESCC1=CC(C(C)C)=CC(F)N1
InChIInChI=1S/C9H14FN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6,9,11H,1-3H3
InChIKeyZXGDEDNHPOJTDE-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydrocollidin
CID 430194
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N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
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N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
4-fluoro-N,6-dimethylcyclohexa-1,3-dien-1-amine
CID 89357788
(Z)-2-amino-2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]-1-fluoroethenethiol
CID 89426011
5-tert-butyl-3-fluoro-2-methylidene-1H-pyridine
CID 89639548
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
N-ethyl-3,5-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 118618028
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
CID 118657074

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine (CID 134243659) is 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine is CC1=CC(C(C)C)=CC(F)N1.
What is the InChIKey of 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine?
The InChIKey is ZXGDEDNHPOJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)8-4-7(3)11-9(10)5-8/h4-6,9,11H,1-3H3.
What are the key properties of 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine?
2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine has a molecular weight of 155.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 134243659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).