3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine

C8H9ClF3N3 — CID 22101791

IUPAC3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(C)c1nc(N)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15(2)7-4(8(10,11)12)3-5(9)6(13)14-7/h3H,1-2H3,(H2,13,14)
InChIKeyWQKIZVZYGSCXMJ-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.40
Rot. Bonds1

About 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine

3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 22101791) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID22101791
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(C)c1nc(N)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15(2)7-4(8(10,11)12)3-5(9)6(13)14-7/h3H,1-2H3,(H2,13,14)
InChIKeyWQKIZVZYGSCXMJ-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-5-(trifluoromethyl)-2-pyridinamine
CID 607248
Org 12962
CID 9796408
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thiourea
CID 1483750
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
2-Amino-5-chloro-3-methylpyridine
CID 350232
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
2-Chloro-6-(dimethylamino)pyridine-3,5-dicarbonitrile
CID 49864066
6-Chloro-5-(trifluoromethyl)pyridin-2-amine
CID 13064153
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-methylpiperazine
CID 1500243
N1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
CID 2767079
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine
CID 2796185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine (CID 22101791) is 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine is CN(C)c1nc(N)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is WQKIZVZYGSCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-15(2)7-4(8(10,11)12)3-5(9)6(13)14-7/h3H,1-2H3,(H2,13,14).
What are the key properties of 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine?
3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 239.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 22101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).