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

C14H14Cl2FN3 — CID 102755165

IUPAC3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-2-7-18-13-9(15)8-10(16)14(20-13)19-12-6-4-3-5-11(12)17/h3-6,8H,2,7H2,1H3,(H2,18,19,20)
InChIKeyYWSZVOJBEBHGBE-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.09
Rot. Bonds5

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

3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102755165) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102755165
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3/c1-2-7-18-13-9(15)8-10(16)14(20-13)19-12-6-4-3-5-11(12)17/h3-6,8H,2,7H2,1H3,(H2,18,19,20)
InChIKeyYWSZVOJBEBHGBE-UHFFFAOYSA-N
XLogP5.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755080
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine (CID 102755165) is 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccccc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is YWSZVOJBEBHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-2-7-18-13-9(15)8-10(16)14(20-13)19-12-6-4-3-5-11(12)17/h3-6,8H,2,7H2,1H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 314.19 g/mol, XLogP of 5.09, 5 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-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).