2-ethyl-3-fluoro-1,2-dihydropyridine

C7H10FN — CID 146384627

IUPAC2-ethyl-3-fluoro-1,2-dihydropyridine
SMILESCCC1NC=CC=C1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3-5,7,9H,2H2,1H3
InChIKeyJZPFAEMBBCKDCA-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.74
Rot. Bonds1

About 2-ethyl-3-fluoro-1,2-dihydropyridine

2-ethyl-3-fluoro-1,2-dihydropyridine (PubChem CID 146384627) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-1,2-dihydropyridine
PubChem CID146384627
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-ethyl-3-fluoro-1,2-dihydropyridine
SMILESCCC1NC=CC=C1F
InChIInChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3-5,7,9H,2H2,1H3
InChIKeyJZPFAEMBBCKDCA-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Trifluoromethyl-1,2-dihydroazine
CID 18539792
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2-Methyl picoline
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2-fluoro-2,3-dimethyl-1H-pyridine
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2-fluoro-4-iodo-2-methyl-1H-pyridine
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2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
CID 89361435
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-1,2-dihydropyridine?
The IUPAC name of 2-ethyl-3-fluoro-1,2-dihydropyridine (CID 146384627) is 2-ethyl-3-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-fluoro-1,2-dihydropyridine?
The canonical SMILES for 2-ethyl-3-fluoro-1,2-dihydropyridine is CCC1NC=CC=C1F.
What is the InChIKey of 2-ethyl-3-fluoro-1,2-dihydropyridine?
The InChIKey is JZPFAEMBBCKDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-7-6(8)4-3-5-9-7/h3-5,7,9H,2H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-1,2-dihydropyridine?
2-ethyl-3-fluoro-1,2-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 146384627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).