1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine

C10H16FN — CID 126995420

IUPAC1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CC2(F)CC2)C1
InChIInChI=1S/C10H16FN/c1-9-3-2-6-12(7-9)8-10(11)4-5-10/h3H,2,4-8H2,1H3
InChIKeyBBOOXVQEDOBHBM-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.14
Rot. Bonds2

About 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine

1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 126995420) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID126995420
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CC2(F)CC2)C1
InChIInChI=1S/C10H16FN/c1-9-3-2-6-12(7-9)8-10(11)4-5-10/h3H,2,4-8H2,1H3
InChIKeyBBOOXVQEDOBHBM-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine (CID 126995420) is 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine is CC1=CCCN(CC2(F)CC2)C1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is BBOOXVQEDOBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-9-3-2-6-12(7-9)8-10(11)4-5-10/h3H,2,4-8H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine?
1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 169.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126995420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).