3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine

C10H13FN2 — CID 172576159

IUPAC3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
SMILESC=C(C)n1ccc(C)c(F)/c1=N\C
InChIInChI=1S/C10H13FN2/c1-7(2)13-6-5-8(3)9(11)10(13)12-4/h5-6H,1H2,2-4H3/b12-10+
InChIKeyCILKJFFKNOLGHQ-ZRDIBKRKSA-N
MW180.23 g/mol
LogP1.96
Rot. Bonds1

About 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine

3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine (PubChem CID 172576159) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
PubChem CID172576159
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine
SMILESC=C(C)n1ccc(C)c(F)/c1=N\C
InChIInChI=1S/C10H13FN2/c1-7(2)13-6-5-8(3)9(11)10(13)12-4/h5-6H,1H2,2-4H3/b12-10+
InChIKeyCILKJFFKNOLGHQ-ZRDIBKRKSA-N
XLogP1.96
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 6624631
1-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
CID 156651628
4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
1-methyl-N-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 143911527
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973
3,4-Diethylimidazo[1,2-a]pyridin-4-ium
CID 22909639

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine?
The IUPAC name of 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine (CID 172576159) is 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine is C=C(C)n1ccc(C)c(F)/c1=N\C.
What is the InChIKey of 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine?
The InChIKey is CILKJFFKNOLGHQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H13FN2/c1-7(2)13-6-5-8(3)9(11)10(13)12-4/h5-6H,1H2,2-4H3/b12-10+.
What are the key properties of 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine?
3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine has a molecular weight of 180.23 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-1-prop-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 172576159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).