5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine

C10H9Br2N3S — CID 103518189

IUPAC5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1ccc(Br)s1
InChIInChI=1S/C10H9Br2N3S/c11-7-4-14-5-8(13)10(7)15-3-6-1-2-9(12)16-6/h1-2,4-5H,3,13H2,(H,14,15)
InChIKeyDKSVZHCSGUFNHZ-UHFFFAOYSA-N
MW363.08 g/mol
LogP3.86
Rot. Bonds3

About 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine

5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 103518189) has the molecular formula C10H9Br2N3S and a molecular weight of 363.08 g/mol. Its IUPAC name is 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
PubChem CID103518189
Molecular FormulaC10H9Br2N3S
Molecular Weight363.08 g/mol
Exact Mass360.89
IUPAC Name5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1ccc(Br)s1
InChIInChI=1S/C10H9Br2N3S/c11-7-4-14-5-8(13)10(7)15-3-6-1-2-9(12)16-6/h1-2,4-5H,3,13H2,(H,14,15)
InChIKeyDKSVZHCSGUFNHZ-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.08
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
CID 103518351
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
5-bromo-4-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3,4-diamine
CID 103518057
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
N-[(5-bromothiophen-2-yl)methyl]-2,4,6-trichloroaniline
CID 28992400
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine (CID 103518189) is 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine is Nc1cncc(Br)c1NCc1ccc(Br)s1.
What is the InChIKey of 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is DKSVZHCSGUFNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3S/c11-7-4-14-5-8(13)10(7)15-3-6-1-2-9(12)16-6/h1-2,4-5H,3,13H2,(H,14,15).
What are the key properties of 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine?
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 363.08 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).