(3R)-3-fluoro-4-methyl-2,3-dihydropyridine

C6H8FN — CID 155454769

IUPAC(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
SMILESCC1=CC=NC[C@@H]1F
InChIInChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h2-3,6H,4H2,1H3/t6-/m0/s1
InChIKeyPXQWLIDNMCJOAK-LURJTMIESA-N
MW113.13 g/mol
LogP1.36
Rot. Bonds

About (3R)-3-fluoro-4-methyl-2,3-dihydropyridine

(3R)-3-fluoro-4-methyl-2,3-dihydropyridine (PubChem CID 155454769) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (3R)-3-fluoro-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
PubChem CID155454769
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
SMILESCC1=CC=NC[C@@H]1F
InChIInChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h2-3,6H,4H2,1H3/t6-/m0/s1
InChIKeyPXQWLIDNMCJOAK-LURJTMIESA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
3,3-Dimethylpyridine
CID 129722078
4-(trifluoromethyl)-3H-pyridin-1-ium
CID 57085904
5-(trifluoromethyl)-3H-pyridin-1-ium
CID 57189778
4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
5-Fluoro-3,4-dimethyl-2,3-dihydropyridine
CID 88977053
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
CID 123399564
2-fluoro-5-methyl-3,4-dihydro-2H-azepine
CID 123433072

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-4-methyl-2,3-dihydropyridine?
The IUPAC name of (3R)-3-fluoro-4-methyl-2,3-dihydropyridine (CID 155454769) is (3R)-3-fluoro-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for (3R)-3-fluoro-4-methyl-2,3-dihydropyridine?
The canonical SMILES for (3R)-3-fluoro-4-methyl-2,3-dihydropyridine is CC1=CC=NC[C@@H]1F.
What is the InChIKey of (3R)-3-fluoro-4-methyl-2,3-dihydropyridine?
The InChIKey is PXQWLIDNMCJOAK-LURJTMIESA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-8-4-6(5)7/h2-3,6H,4H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-3-fluoro-4-methyl-2,3-dihydropyridine?
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 155454769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).