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

C10H16FN — CID 130694412

IUPAC5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1(CN2CCC=C(F)C2)CC1
InChIInChI=1S/C10H16FN/c1-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyPFRMJNCASAKNNJ-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.35
Rot. Bonds2

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

5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 130694412) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID130694412
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine
SMILESCC1(CN2CCC=C(F)C2)CC1
InChIInChI=1S/C10H16FN/c1-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3
InChIKeyPFRMJNCASAKNNJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
1-ethyl-4-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205520
1-[(1-fluorocyclopropyl)methyl]-3,6-dihydro-2H-pyridine
CID 126994947
1-[(1-fluorocyclopropyl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 126995420
1-butyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 126997655
5-fluoro-1-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine
CID 130621576
1-[(1-fluorocyclopropyl)methyl]-3,5-dimethyl-3,6-dihydro-2H-pyridine
CID 130634845
5-fluoro-1-(2-methylidenebutyl)-3,6-dihydro-2H-pyridine
CID 130684600
5-fluoro-1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridine
CID 130709572

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine (CID 130694412) is 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is CC1(CN2CCC=C(F)C2)CC1.
What is the InChIKey of 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is PFRMJNCASAKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-10(4-5-10)8-12-6-2-3-9(11)7-12/h3H,2,4-8H2,1H3.
What are the key properties of 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 169.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylcyclopropyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130694412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).