2-amino-3-(3-bromo-2-pyridinyl)propanamide

C8H10BrN3O — CID 130575756

IUPAC2-amino-3-(3-bromo-2-pyridinyl)propanamide
SMILESNC(=O)C(N)Cc1ncccc1Br
InChIInChI=1S/C8H10BrN3O/c9-5-2-1-3-12-7(5)4-6(10)8(11)13/h1-3,6H,4,10H2,(H2,11,13)
InChIKeySJFXZNGMHBTEEM-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.20
Rot. Bonds3

About 2-amino-3-(3-bromo-2-pyridinyl)propanamide

2-amino-3-(3-bromo-2-pyridinyl)propanamide (PubChem CID 130575756) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-3-(3-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3-bromo-2-pyridinyl)propanamide
PubChem CID130575756
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-amino-3-(3-bromo-2-pyridinyl)propanamide
SMILESNC(=O)C(N)Cc1ncccc1Br
InChIInChI=1S/C8H10BrN3O/c9-5-2-1-3-12-7(5)4-6(10)8(11)13/h1-3,6H,4,10H2,(H2,11,13)
InChIKeySJFXZNGMHBTEEM-UHFFFAOYSA-N
XLogP0.20
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
CID 88580721

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-bromo-2-pyridinyl)propanamide?
The IUPAC name of 2-amino-3-(3-bromo-2-pyridinyl)propanamide (CID 130575756) is 2-amino-3-(3-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for 2-amino-3-(3-bromo-2-pyridinyl)propanamide?
The canonical SMILES for 2-amino-3-(3-bromo-2-pyridinyl)propanamide is NC(=O)C(N)Cc1ncccc1Br.
What is the InChIKey of 2-amino-3-(3-bromo-2-pyridinyl)propanamide?
The InChIKey is SJFXZNGMHBTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-5-2-1-3-12-7(5)4-6(10)8(11)13/h1-3,6H,4,10H2,(H2,11,13).
What are the key properties of 2-amino-3-(3-bromo-2-pyridinyl)propanamide?
2-amino-3-(3-bromo-2-pyridinyl)propanamide has a molecular weight of 244.09 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-bromo-2-pyridinyl)propanamide is sourced from PubChem (CID 130575756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).