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

C11H12BrN3O — CID 103518052

IUPAC5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
SMILESCc1ccc(CNc2c(N)cncc2Br)o1
InChIInChI=1S/C11H12BrN3O/c1-7-2-3-8(16-7)4-15-11-9(12)5-14-6-10(11)13/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyYSOARJULTXMRCY-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.94
Rot. Bonds3

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

5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 103518052) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
PubChem CID103518052
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
SMILESCc1ccc(CNc2c(N)cncc2Br)o1
InChIInChI=1S/C11H12BrN3O/c1-7-2-3-8(16-7)4-15-11-9(12)5-14-6-10(11)13/h2-3,5-6H,4,13H2,1H3,(H,14,15)
InChIKeyYSOARJULTXMRCY-UHFFFAOYSA-N
XLogP2.94
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
CID 103518189
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
CID 103518351
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
5-bromo-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3,4-diamine
CID 103517887
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
CID 103930537
5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
CID 103517902
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
CID 103518072
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine (CID 103518052) is 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine is Cc1ccc(CNc2c(N)cncc2Br)o1.
What is the InChIKey of 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is YSOARJULTXMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-7-2-3-8(16-7)4-15-11-9(12)5-14-6-10(11)13/h2-3,5-6H,4,13H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine?
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 282.14 g/mol, XLogP of 2.94, 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-methylfuran-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103518052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).