N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C11H7BrClF3N2S — CID 78983980

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2sccc2Br)c(Cl)c1
InChIInChI=1S/C11H7BrClF3N2S/c12-7-1-2-19-9(7)5-18-10-8(13)3-6(4-17-10)11(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyNGJDYLRUHCTPPJ-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.19
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 78983980) has the molecular formula C11H7BrClF3N2S and a molecular weight of 371.61 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID78983980
Molecular FormulaC11H7BrClF3N2S
Molecular Weight371.61 g/mol
Exact Mass369.92
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2sccc2Br)c(Cl)c1
InChIInChI=1S/C11H7BrClF3N2S/c12-7-1-2-19-9(7)5-18-10-8(13)3-6(4-17-10)11(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyNGJDYLRUHCTPPJ-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-6-(trifluoromethyl)aniline
CID 63487816
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113238278
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
N'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
CID 31980902
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497
N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
CID 79035166

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 78983980) is N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2sccc2Br)c(Cl)c1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NGJDYLRUHCTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2S/c12-7-1-2-19-9(7)5-18-10-8(13)3-6(4-17-10)11(14,15)16/h1-4H,5H2,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 371.61 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78983980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).