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

C10H12Cl2F3N3 — CID 102757440

IUPAC3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2F3N3/c1-5(2)18(4-10(13,14)15)9-7(12)3-6(11)8(16)17-9/h3,5H,4H2,1-2H3,(H2,16,17)
InChIKeyDWJXNIANHQJGKG-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.75
Rot. Bonds3

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

3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (PubChem CID 102757440) has the molecular formula C10H12Cl2F3N3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
PubChem CID102757440
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.13 g/mol
Exact Mass301.04
IUPAC Name3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
SMILESCC(C)N(CC(F)(F)F)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2F3N3/c1-5(2)18(4-10(13,14)15)9-7(12)3-6(11)8(16)17-9/h3,5H,4H2,1-2H3,(H2,16,17)
InChIKeyDWJXNIANHQJGKG-UHFFFAOYSA-N
XLogP3.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 102755851
3,5-dichloro-6-N-cyclopropyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757430
2-chloro-6-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 114043728
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102756801
3,5-dichloro-6-N-(2,2-dimethylpropyl)-6-N-methylpyridine-2,6-diamine
CID 102757620
1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
CID 102757866
3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
CID 102759999
2-chloro-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 79072879
2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114997059
3-(chloromethyl)-4,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55009185
4-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]butan-2-ol
CID 102759983
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
CID 55011012

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine (CID 102757440) is 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is CC(C)N(CC(F)(F)F)c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
The InChIKey is DWJXNIANHQJGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2F3N3/c1-5(2)18(4-10(13,14)15)9-7(12)3-6(11)8(16)17-9/h3,5H,4H2,1-2H3,(H2,16,17).
What are the key properties of 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine has a molecular weight of 302.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102757440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).