5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine

C10H16BrN3 — CID 61229242

IUPAC5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCCC(C)(C)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H16BrN3/c1-4-10(2,3)14-9-8(12)5-7(11)6-13-9/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyMTXWCOPNTGSPEG-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine

5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine (PubChem CID 61229242) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
PubChem CID61229242
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCCC(C)(C)Nc1ncc(Br)cc1N
InChIInChI=1S/C10H16BrN3/c1-4-10(2,3)14-9-8(12)5-7(11)6-13-9/h5-6H,4,12H2,1-3H3,(H,13,14)
InChIKeyMTXWCOPNTGSPEG-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334310
ditert-butyl 2-amino-2-[(3-amino-5-bromo-2-pyridinyl)amino]propanedioate
CID 174674303
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine (CID 61229242) is 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine is CCC(C)(C)Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine?
The InChIKey is MTXWCOPNTGSPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-4-10(2,3)14-9-8(12)5-7(11)6-13-9/h5-6H,4,12H2,1-3H3,(H,13,14).
What are the key properties of 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine?
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine has a molecular weight of 258.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 61229242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).