4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine

C9H16FN — CID 178009524

IUPAC4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine
SMILESCCCC1CN(C)CC=C1F
InChIInChI=1S/C9H16FN/c1-3-4-8-7-11(2)6-5-9(8)10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyHQNBWQMQKRWQGC-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.20
Rot. Bonds2

About 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine

4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine (PubChem CID 178009524) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine
PubChem CID178009524
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine
SMILESCCCC1CN(C)CC=C1F
InChIInChI=1S/C9H16FN/c1-3-4-8-7-11(2)6-5-9(8)10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyHQNBWQMQKRWQGC-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine (CID 178009524) is 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine is CCCC1CN(C)CC=C1F.
What is the InChIKey of 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is HQNBWQMQKRWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-8-7-11(2)6-5-9(8)10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine?
4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 178009524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).