3,5-difluoro-6-N-octylpyridine-2,6-diamine

C13H21F2N3 — CID 114074590

IUPAC3,5-difluoro-6-N-octylpyridine-2,6-diamine
SMILESCCCCCCCCNc1nc(N)c(F)cc1F
InChIInChI=1S/C13H21F2N3/c1-2-3-4-5-6-7-8-17-13-11(15)9-10(14)12(16)18-13/h9H,2-8H2,1H3,(H3,16,17,18)
InChIKeyNTEIKJFTWYRBFZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds8

About 3,5-difluoro-6-N-octylpyridine-2,6-diamine

3,5-difluoro-6-N-octylpyridine-2,6-diamine (PubChem CID 114074590) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,5-difluoro-6-N-octylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-6-N-octylpyridine-2,6-diamine
PubChem CID114074590
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3,5-difluoro-6-N-octylpyridine-2,6-diamine
SMILESCCCCCCCCNc1nc(N)c(F)cc1F
InChIInChI=1S/C13H21F2N3/c1-2-3-4-5-6-7-8-17-13-11(15)9-10(14)12(16)18-13/h9H,2-8H2,1H3,(H3,16,17,18)
InChIKeyNTEIKJFTWYRBFZ-UHFFFAOYSA-N
XLogP3.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
6-chloro-3-fluoro-N-pentylpyridin-2-amine
CID 90135424
3,5-difluoro-6-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106424233
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
CID 106241605
5-N-butyl-3-fluoropyridine-2,5-diamine
CID 146642844
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106149965
2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324
3,5-difluoro-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 114074409

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-N-octylpyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-6-N-octylpyridine-2,6-diamine (CID 114074590) is 3,5-difluoro-6-N-octylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-6-N-octylpyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-6-N-octylpyridine-2,6-diamine is CCCCCCCCNc1nc(N)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-N-octylpyridine-2,6-diamine?
The InChIKey is NTEIKJFTWYRBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-2-3-4-5-6-7-8-17-13-11(15)9-10(14)12(16)18-13/h9H,2-8H2,1H3,(H3,16,17,18).
What are the key properties of 3,5-difluoro-6-N-octylpyridine-2,6-diamine?
3,5-difluoro-6-N-octylpyridine-2,6-diamine has a molecular weight of 257.33 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-N-octylpyridine-2,6-diamine is sourced from PubChem (CID 114074590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).