3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine

C10H12Cl2F3N3 — CID 102755655

IUPAC3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2F3N3/c1-2-3-16-8-6(11)4-7(12)9(18-8)17-5-10(13,14)15/h4H,2-3,5H2,1H3,(H2,16,17,18)
InChIKeyVOXQRIGWTKWNJV-UHFFFAOYSA-N
MW302.13 g/mol
LogP4.18
Rot. Bonds5

About 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine

3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (PubChem CID 102755655) has the molecular formula C10H12Cl2F3N3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
PubChem CID102755655
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.13 g/mol
Exact Mass301.04
IUPAC Name3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCCCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2F3N3/c1-2-3-16-8-6(11)4-7(12)9(18-8)17-5-10(13,14)15/h4H,2-3,5H2,1H3,(H2,16,17,18)
InChIKeyVOXQRIGWTKWNJV-UHFFFAOYSA-N
XLogP4.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (CID 102755655) is 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is CCCNc1nc(NCC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The InChIKey is VOXQRIGWTKWNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2F3N3/c1-2-3-16-8-6(11)4-7(12)9(18-8)17-5-10(13,14)15/h4H,2-3,5H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine has a molecular weight of 302.13 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).