3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine

C11H16Cl2FN3 — CID 114267273

IUPAC3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCCF)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2FN3/c1-2-5-15-10-8(12)7-9(13)11(17-10)16-6-3-4-14/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeySQXHXRYSIAVKOO-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.98
Rot. Bonds7

About 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 114267273) has the molecular formula C11H16Cl2FN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
PubChem CID114267273
Molecular FormulaC11H16Cl2FN3
Molecular Weight280.17 g/mol
Exact Mass279.07
IUPAC Name3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCCCF)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2FN3/c1-2-5-15-10-8(12)7-9(13)11(17-10)16-6-3-4-14/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeySQXHXRYSIAVKOO-UHFFFAOYSA-N
XLogP3.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.98
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

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride
CID 3024498
5-chloro-N-methylpyridin-2-amine
CID 3837024
3,5-dichloro-N-methylpyridin-2-amine
CID 23423792
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
3,5-dichloro-N-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 44523105
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 118730398
1-(5-Chloro-2-pyridinyl)-2-propylguanidine;hydrochloride
CID 56837265
N1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2767079

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine (CID 114267273) is 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCCCF)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is SQXHXRYSIAVKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2FN3/c1-2-5-15-10-8(12)7-9(13)11(17-10)16-6-3-4-14/h7H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 280.17 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 114267273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).