4,5-di(ethylidene)-3-fluoropyridin-2-amine

C9H11FN2 — CID 123974610

IUPAC4,5-di(ethylidene)-3-fluoropyridin-2-amine
SMILESCC=c1cnc(N)c(F)c1=CC
InChIInChI=1S/C9H11FN2/c1-3-6-5-12-9(11)8(10)7(6)4-2/h3-5H,11H2,1-2H3
InChIKeyLXKWZOJMWWBHRE-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.40
Rot. Bonds

About 4,5-di(ethylidene)-3-fluoropyridin-2-amine

4,5-di(ethylidene)-3-fluoropyridin-2-amine (PubChem CID 123974610) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4,5-di(ethylidene)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4,5-di(ethylidene)-3-fluoropyridin-2-amine
PubChem CID123974610
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4,5-di(ethylidene)-3-fluoropyridin-2-amine
SMILESCC=c1cnc(N)c(F)c1=CC
InChIInChI=1S/C9H11FN2/c1-3-6-5-12-9(11)8(10)7(6)4-2/h3-5H,11H2,1-2H3
InChIKeyLXKWZOJMWWBHRE-UHFFFAOYSA-N
XLogP0.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Fluoro-2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 135171424
1-[(Z)-[(4E)-5-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]amino]ethenamine
CID 144049148
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
6-Fluoro-2-(methyliminomethyl)cyclohexa-1,5-dien-1-amine
CID 172601501
2-[(2-Fluorocyclohexa-1,3-dien-1-yl)iminomethyl]but-1-en-1-amine
CID 173676485
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
(3E,4Z)-3-(2-fluoroprop-2-enylidene)-2-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 173818793
(1Z,3E)-3-ethyl-1-(ethylideneamino)-5,5,5-trifluoropenta-1,3-dien-1-amine
CID 174086267
(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
CID 145324654
benzene;5-methyl-3H-pyridin-3-id-6-amine;yttrium
CID 59190356
(1E,3Z)-2-(2,3-dihydropyridin-5-yl)hexa-1,3,5-trien-1-amine
CID 117827823
(Z)-2-(6-methylideneazepin-3-yl)but-2-en-1-imine
CID 129225444

Frequently Asked Questions

What is the IUPAC name of 4,5-di(ethylidene)-3-fluoropyridin-2-amine?
The IUPAC name of 4,5-di(ethylidene)-3-fluoropyridin-2-amine (CID 123974610) is 4,5-di(ethylidene)-3-fluoropyridin-2-amine.
What is the SMILES notation for 4,5-di(ethylidene)-3-fluoropyridin-2-amine?
The canonical SMILES for 4,5-di(ethylidene)-3-fluoropyridin-2-amine is CC=c1cnc(N)c(F)c1=CC.
What is the InChIKey of 4,5-di(ethylidene)-3-fluoropyridin-2-amine?
The InChIKey is LXKWZOJMWWBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-3-6-5-12-9(11)8(10)7(6)4-2/h3-5H,11H2,1-2H3.
What are the key properties of 4,5-di(ethylidene)-3-fluoropyridin-2-amine?
4,5-di(ethylidene)-3-fluoropyridin-2-amine has a molecular weight of 166.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(ethylidene)-3-fluoropyridin-2-amine is sourced from PubChem (CID 123974610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).