3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine

C8H9Cl2F2N3 — CID 102759999

IUPAC3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC(F)F)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2F2N3/c1-15(3-6(11)12)8-5(10)2-4(9)7(13)14-8/h2,6H,3H2,1H3,(H2,13,14)
InChIKeyYQFFSQMJIFDCJL-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.67
Rot. Bonds3

About 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine (PubChem CID 102759999) has the molecular formula C8H9Cl2F2N3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
PubChem CID102759999
Molecular FormulaC8H9Cl2F2N3
Molecular Weight256.08 g/mol
Exact Mass255.01
IUPAC Name3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine
SMILESCN(CC(F)F)c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2F2N3/c1-15(3-6(11)12)8-5(10)2-4(9)7(13)14-8/h2,6H,3H2,1H3,(H2,13,14)
InChIKeyYQFFSQMJIFDCJL-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]propan-2-ol
CID 102757866
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758333
3,5-dichloro-6-N-(2,2-dimethylpropyl)-6-N-methylpyridine-2,6-diamine
CID 102757620
4-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]butan-2-ol
CID 102759983
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
3,5-dichloro-6-N-propan-2-yl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757440
6-chloro-4-N-(2,2-difluoroethyl)-4-N-methylpyrimidine-2,4-diamine
CID 115611744
3,5-dichloro-6-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 102755851
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
3,5-dichloro-6-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 102761612
3,5-dichloro-6-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758072

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine (CID 102759999) is 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine is CN(CC(F)F)c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine?
The InChIKey is YQFFSQMJIFDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F2N3/c1-15(3-6(11)12)8-5(10)2-4(9)7(13)14-8/h2,6H,3H2,1H3,(H2,13,14).
What are the key properties of 3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine has a molecular weight of 256.08 g/mol, XLogP of 2.67, 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-(2,2-difluoroethyl)-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102759999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).