4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine

C10H16FN — CID 90846019

IUPAC4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(C)=N1
InChIInChI=1S/C10H16FN/c1-4-5-9-6-10(11)7(2)8(3)12-9/h9H,4-6H2,1-3H3
InChIKeyPAXMCHNMJRTVNH-UHFFFAOYSA-N
MW169.24 g/mol
LogP3.26
Rot. Bonds2

About 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine

4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine (PubChem CID 90846019) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
PubChem CID90846019
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine
SMILESCCCC1CC(F)=C(C)C(C)=N1
InChIInChI=1S/C10H16FN/c1-4-5-9-6-10(11)7(2)8(3)12-9/h9H,4-6H2,1-3H3
InChIKeyPAXMCHNMJRTVNH-UHFFFAOYSA-N
XLogP3.26
TPSA12.36 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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine (CID 90846019) is 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine is CCCC1CC(F)=C(C)C(C)=N1.
What is the InChIKey of 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine?
The InChIKey is PAXMCHNMJRTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-5-9-6-10(11)7(2)8(3)12-9/h9H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine?
4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine has a molecular weight of 169.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,6-dimethyl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 90846019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).