3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C9H8Cl3F3N2 — CID 102750808

IUPAC3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3F3N2/c1-2-17(4-9(13,14)15)8-6(11)3-5(10)7(12)16-8/h3H,2,4H2,1H3
InChIKeySIGVVLOAKMPVJG-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.43
Rot. Bonds3

About 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 102750808) has the molecular formula C9H8Cl3F3N2 and a molecular weight of 307.53 g/mol. Its IUPAC name is 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID102750808
Molecular FormulaC9H8Cl3F3N2
Molecular Weight307.53 g/mol
Exact Mass305.97
IUPAC Name3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3F3N2/c1-2-17(4-9(13,14)15)8-6(11)3-5(10)7(12)16-8/h3H,2,4H2,1H3
InChIKeySIGVVLOAKMPVJG-UHFFFAOYSA-N
XLogP4.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.43
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
2,4-Bis(diethylamino)-5-chloro-difluoropyridine
CID 129815730
2-Chloro-6-(pyrrolidin-1-yl)pyridine
CID 4244792
3,5-Dichloro-N,N-dimethyl-2-pyridinamine
CID 13418272
N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N-dimethylmethanimidamide
CID 9583191
3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
CID 28387469
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

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 102750808) is 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCN(CC(F)(F)F)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is SIGVVLOAKMPVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3F3N2/c1-2-17(4-9(13,14)15)8-6(11)3-5(10)7(12)16-8/h3H,2,4H2,1H3.
What are the key properties of 3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3,5,6-trichloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 307.53 g/mol, XLogP of 4.43, 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-ethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 102750808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).