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

C10H8Br2N2S — CID 78999146

IUPAC5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2sccc2Br)nc1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-10(13-5-7)14-6-9-8(12)3-4-15-9/h1-5H,6H2,(H,13,14)
InChIKeyDNCRNHFZMHNYAM-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.28
Rot. Bonds3

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

5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 78999146) has the molecular formula C10H8Br2N2S and a molecular weight of 348.06 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
PubChem CID78999146
Molecular FormulaC10H8Br2N2S
Molecular Weight348.06 g/mol
Exact Mass345.88
IUPAC Name5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
SMILESBrc1ccc(NCc2sccc2Br)nc1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-10(13-5-7)14-6-9-8(12)3-4-15-9/h1-5H,6H2,(H,13,14)
InChIKeyDNCRNHFZMHNYAM-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
CID 79035166
2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652753
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013
4-[(3-bromothiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976446
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 75421859
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
N-[(3-bromothiophen-2-yl)methyl]-6-nitropyridin-3-amine
CID 78992969
4-[(3-bromothiophen-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976445

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine (CID 78999146) is 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine is Brc1ccc(NCc2sccc2Br)nc1.
What is the InChIKey of 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is DNCRNHFZMHNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2S/c11-7-1-2-10(13-5-7)14-6-9-8(12)3-4-15-9/h1-5H,6H2,(H,13,14).
What are the key properties of 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine?
5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 348.06 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 78999146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).