3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine

C6H9FN2 — CID 163981498

IUPAC3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
SMILESC/N=C1\C=CC(F)CN1
InChIInChI=1S/C6H9FN2/c1-8-6-3-2-5(7)4-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeySYUJRXHXHFVMJO-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.51
Rot. Bonds

About 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine (PubChem CID 163981498) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine.

Molecular Properties

Compound Name3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
PubChem CID163981498
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
SMILESC/N=C1\C=CC(F)CN1
InChIInChI=1S/C6H9FN2/c1-8-6-3-2-5(7)4-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeySYUJRXHXHFVMJO-UHFFFAOYSA-N
XLogP0.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 166983729
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CID 144414903
2-[(E)-but-1-enyl]-4,5-dihydro-1H-imidazole
CID 15471712
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
N'-(2,3-dihydropyridin-6-yl)ethane-1,2-diamine
CID 70309686
2-[(Z)-but-1-enyl]-1,4,5,6-tetrahydropyrimidine
CID 89851124
N,N'-dimethylpent-2-enimidamide
CID 123169307
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine?
The IUPAC name of 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine (CID 163981498) is 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine.
What is the SMILES notation for 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine?
The canonical SMILES for 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine is C/N=C1\C=CC(F)CN1.
What is the InChIKey of 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine?
The InChIKey is SYUJRXHXHFVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-8-6-3-2-5(7)4-9-6/h2-3,5H,4H2,1H3,(H,8,9).
What are the key properties of 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine?
3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine has a molecular weight of 128.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine is sourced from PubChem (CID 163981498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).