3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine

C10H10BrN3S — CID 104540435

IUPAC3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3S/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5,14H,6H2,(H2,12,13)
InChIKeyGAJCROUQNBRTDR-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.10
Rot. Bonds3

About 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine

3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 104540435) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
PubChem CID104540435
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3S/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5,14H,6H2,(H2,12,13)
InChIKeyGAJCROUQNBRTDR-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540489
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43742993
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-bromothiophene-2-carboxamide
CID 70234206
ethyl 2-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 54900601
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
3-[(5-bromothiophen-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743674
3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 82814128
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
4-N-[(5-bromothiophen-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80838008

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine (CID 104540435) is 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine is Nc1ncccc1NCc1ccc(Br)s1.
What is the InChIKey of 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is GAJCROUQNBRTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c11-9-4-3-7(15-9)6-14-8-2-1-5-13-10(8)12/h1-5,14H,6H2,(H2,12,13).
What are the key properties of 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine?
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 284.18 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).