3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine

C8H7Cl3F2N2 — CID 102751970

IUPAC3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
SMILESCN(CC(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3F2N2/c1-15(3-6(12)13)8-5(10)2-4(9)7(11)14-8/h2,6H,3H2,1H3
InChIKeyBIUSHIGSKAITNL-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.74
Rot. Bonds3

About 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine

3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine (PubChem CID 102751970) has the molecular formula C8H7Cl3F2N2 and a molecular weight of 275.51 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
PubChem CID102751970
Molecular FormulaC8H7Cl3F2N2
Molecular Weight275.51 g/mol
Exact Mass273.96
IUPAC Name3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine
SMILESCN(CC(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3F2N2/c1-15(3-6(12)13)8-5(10)2-4(9)7(11)14-8/h2,6H,3H2,1H3
InChIKeyBIUSHIGSKAITNL-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-(4-methylpiperazino)pyridine
CID 10727230
5-Chloro-3,6-difluoropyridin-2-amine
CID 22121247
1-[3,4,6-Trichloro-5-(trifluoromethyl)pyridin-2-yl]azepane
CID 534561
5-Chloro-2-diethylaminotrifluoropyridine
CID 85757812
2-Chloro-6-(pyrrolidin-1-yl)pyridine
CID 4244792
3,5-Dichloropyridine-2,6-diamine
CID 12674799
3,5-Dichloro-N,N-dimethyl-2-pyridinamine
CID 13418272
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N-dimethylmethanimidamide
CID 9583191
N,N-diallyl-3-chloro-5-(trifluoromethyl)-2-pyridinamine
CID 1488529
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine
CID 22101791
2-(t-Butylamino)-5-chloro-3,6-difluoropyridine
CID 22121189

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine (CID 102751970) is 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine is CN(CC(F)F)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
The InChIKey is BIUSHIGSKAITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3F2N2/c1-15(3-6(12)13)8-5(10)2-4(9)7(11)14-8/h2,6H,3H2,1H3.
What are the key properties of 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine?
3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine has a molecular weight of 275.51 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2,2-difluoroethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102751970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).