4-fluoro-1-methyl-5-propylpyridin-2-imine

C9H13FN2 — CID 177040425

IUPAC4-fluoro-1-methyl-5-propylpyridin-2-imine
SMILES[H]/N=c1\cc(F)c(CCC)cn1C
InChIInChI=1S/C9H13FN2/c1-3-4-7-6-12(2)9(11)5-8(7)10/h5-6,11H,3-4H2,1-2H3/b11-9+
InChIKeyPXBUURWXHYKYRO-PKNBQFBNSA-N
MW168.22 g/mol
LogP1.60
Rot. Bonds2

About 4-fluoro-1-methyl-5-propylpyridin-2-imine

4-fluoro-1-methyl-5-propylpyridin-2-imine (PubChem CID 177040425) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5-propylpyridin-2-imine.

Molecular Properties

Compound Name4-fluoro-1-methyl-5-propylpyridin-2-imine
PubChem CID177040425
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name4-fluoro-1-methyl-5-propylpyridin-2-imine
SMILES[H]/N=c1\cc(F)c(CCC)cn1C
InChIInChI=1S/C9H13FN2/c1-3-4-7-6-12(2)9(11)5-8(7)10/h5-6,11H,3-4H2,1-2H3/b11-9+
InChIKeyPXBUURWXHYKYRO-PKNBQFBNSA-N
XLogP1.60
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluoro-2-imino-5-methyl-1-pyridinyl)ethenamine
CID 137532738
1-[2-Imino-4-methyl-5-(trifluoromethyl)-1-pyridinyl]ethenamine
CID 137532764
1-Prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine
CID 155236683
4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 155727312
(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine
CID 166775040
4-(Fluoromethyl)-2-imino-5-methylpyridin-1-amine
CID 166858874
4-But-3-enyl-3,5-difluoro-1-methanimidoylpyridin-2-imine
CID 172299250
1-Ethanimidoyl-5-fluoro-4-methylpyridin-2-imine
CID 172299308
5-Fluoro-1-methanimidoyl-4-methylpyridin-2-imine
CID 172299341
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1,5-Dimethylpyridin-2-imine
CID 70512128
1,4,5-Trimethylpyridin-2-imine
CID 89231210

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-5-propylpyridin-2-imine?
The IUPAC name of 4-fluoro-1-methyl-5-propylpyridin-2-imine (CID 177040425) is 4-fluoro-1-methyl-5-propylpyridin-2-imine.
What is the SMILES notation for 4-fluoro-1-methyl-5-propylpyridin-2-imine?
The canonical SMILES for 4-fluoro-1-methyl-5-propylpyridin-2-imine is [H]/N=c1\cc(F)c(CCC)cn1C.
What is the InChIKey of 4-fluoro-1-methyl-5-propylpyridin-2-imine?
The InChIKey is PXBUURWXHYKYRO-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H13FN2/c1-3-4-7-6-12(2)9(11)5-8(7)10/h5-6,11H,3-4H2,1-2H3/b11-9+.
What are the key properties of 4-fluoro-1-methyl-5-propylpyridin-2-imine?
4-fluoro-1-methyl-5-propylpyridin-2-imine has a molecular weight of 168.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-5-propylpyridin-2-imine is sourced from PubChem (CID 177040425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).