5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine

C9H7BrClF3N2 — CID 106796361

IUPAC5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESC=C(Cl)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H7BrClF3N2/c1-5(11)3-15-8-7(9(12,13)14)2-6(10)4-16-8/h2,4H,1,3H2,(H,15,16)
InChIKeyADTPWXXRLMAREJ-UHFFFAOYSA-N
MW315.52 g/mol
LogP4.03
Rot. Bonds3

About 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796361) has the molecular formula C9H7BrClF3N2 and a molecular weight of 315.52 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796361
Molecular FormulaC9H7BrClF3N2
Molecular Weight315.52 g/mol
Exact Mass313.94
IUPAC Name5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESC=C(Cl)CNc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C9H7BrClF3N2/c1-5(11)3-15-8-7(9(12,13)14)2-6(10)4-16-8/h2,4H,1,3H2,(H,15,16)
InChIKeyADTPWXXRLMAREJ-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382038
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796361) is 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine is C=C(Cl)CNc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ADTPWXXRLMAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3N2/c1-5(11)3-15-8-7(9(12,13)14)2-6(10)4-16-8/h2,4H,1,3H2,(H,15,16).
What are the key properties of 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 315.52 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).