3-(5-fluoro-2-pyridinyl)heptan-4-amine

C12H19FN2 — CID 112586757

IUPAC3-(5-fluoro-2-pyridinyl)heptan-4-amine
SMILESCCCC(N)C(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-3-5-11(14)10(4-2)12-7-6-9(13)8-15-12/h6-8,10-11H,3-5,14H2,1-2H3
InChIKeySBEYOYBQLOWMCB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.84
Rot. Bonds5

About 3-(5-fluoro-2-pyridinyl)heptan-4-amine

3-(5-fluoro-2-pyridinyl)heptan-4-amine (PubChem CID 112586757) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)heptan-4-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)heptan-4-amine
PubChem CID112586757
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-(5-fluoro-2-pyridinyl)heptan-4-amine
SMILESCCCC(N)C(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2/c1-3-5-11(14)10(4-2)12-7-6-9(13)8-15-12/h6-8,10-11H,3-5,14H2,1-2H3
InChIKeySBEYOYBQLOWMCB-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoheptan-3-yl)-5-fluoropyridine
CID 112586772
2-(4-chloroheptan-3-yl)-5-fluoropyridine
CID 112586771
3-(4-fluorophenyl)heptan-4-amine
CID 83047471
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
2-ethoxy-1-(5-fluoro-2-pyridinyl)ethanamine
CID 68847370
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
CID 135302857
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
CID 104806764

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)heptan-4-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)heptan-4-amine (CID 112586757) is 3-(5-fluoro-2-pyridinyl)heptan-4-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)heptan-4-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)heptan-4-amine is CCCC(N)C(CC)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)heptan-4-amine?
The InChIKey is SBEYOYBQLOWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-5-11(14)10(4-2)12-7-6-9(13)8-15-12/h6-8,10-11H,3-5,14H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)heptan-4-amine?
3-(5-fluoro-2-pyridinyl)heptan-4-amine has a molecular weight of 210.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)heptan-4-amine is sourced from PubChem (CID 112586757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).