N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide

C10H13BrN2O — CID 10848721

IUPACN-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H13BrN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyFQKDLQJTGFQVNT-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.83
Rot. Bonds1

About N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide

N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 10848721) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID10848721
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncccc1Br
InChIInChI=1S/C10H13BrN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKeyFQKDLQJTGFQVNT-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide (CID 10848721) is N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is FQKDLQJTGFQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-10(2,3)9(14)13-8-7(11)5-4-6-12-8/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide?
N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 257.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10848721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).