(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine

C7H10FN — CID 155135101

IUPAC(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
SMILESCC1=NC=C(F)C[C@H]1C
InChIInChI=1S/C7H10FN/c1-5-3-7(8)4-9-6(5)2/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyTVZUCINDQDADFV-RXMQYKEDSA-N
MW127.16 g/mol
LogP2.30
Rot. Bonds

About (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine

(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine (PubChem CID 155135101) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
PubChem CID155135101
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
SMILESCC1=NC=C(F)C[C@H]1C
InChIInChI=1S/C7H10FN/c1-5-3-7(8)4-9-6(5)2/h4-5H,3H2,1-2H3/t5-/m1/s1
InChIKeyTVZUCINDQDADFV-RXMQYKEDSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine?
The IUPAC name of (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine (CID 155135101) is (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine?
The canonical SMILES for (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine is CC1=NC=C(F)C[C@H]1C.
What is the InChIKey of (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine?
The InChIKey is TVZUCINDQDADFV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-7(8)4-9-6(5)2/h4-5H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine?
(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 155135101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).