5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C10H11BrClF3N2 — CID 107490631

IUPAC5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H11BrClF3N2/c1-7-4-8(11)5-16-9(7)17(3-2-12)6-10(13,14)15/h4-5H,2-3,6H2,1H3
InChIKeyQJOZRTMIXDPFBY-UHFFFAOYSA-N
MW331.56 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 107490631) has the molecular formula C10H11BrClF3N2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID107490631
Molecular FormulaC10H11BrClF3N2
Molecular Weight331.56 g/mol
Exact Mass329.97
IUPAC Name5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCc1cc(Br)cnc1N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H11BrClF3N2/c1-7-4-8(11)5-16-9(7)17(3-2-12)6-10(13,14)15/h4-5H,2-3,6H2,1H3
InChIKeyQJOZRTMIXDPFBY-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638351
N-(2-chloroethyl)-6-ethoxy-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 107490656
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
3-[2-chloroethyl(2,2,2-trifluoroethyl)amino]-1-methylpyrazin-2-one
CID 107490714
3-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]propanethioamide
CID 79712666
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)isoquinolin-1-amine
CID 107490693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 107490631) is 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is Cc1cc(Br)cnc1N(CCCl)CC(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is QJOZRTMIXDPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N2/c1-7-4-8(11)5-16-9(7)17(3-2-12)6-10(13,14)15/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 331.56 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 107490631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).