N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide

C9H7BrN2O — CID 130595304

IUPACN-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
SMILESC#CC(=O)Nc1cc(C)cnc1Br
InChIInChI=1S/C9H7BrN2O/c1-3-8(13)12-7-4-6(2)5-11-9(7)10/h1,4-5H,2H3,(H,12,13)
InChIKeySSZXQJMGEYSDNZ-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.72
Rot. Bonds1

About N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide

N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide (PubChem CID 130595304) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
PubChem CID130595304
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC NameN-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
SMILESC#CC(=O)Nc1cc(C)cnc1Br
InChIInChI=1S/C9H7BrN2O/c1-3-8(13)12-7-4-6(2)5-11-9(7)10/h1,4-5H,2H3,(H,12,13)
InChIKeySSZXQJMGEYSDNZ-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
CID 130595242
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
CID 104723899
2-bromo-N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535402
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
CID 46737856
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 112750068
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
CID 131137663
N-(2-methoxy-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 71983272

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide?
The IUPAC name of N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide (CID 130595304) is N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide.
What is the SMILES notation for N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide?
The canonical SMILES for N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide is C#CC(=O)Nc1cc(C)cnc1Br.
What is the InChIKey of N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide?
The InChIKey is SSZXQJMGEYSDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-3-8(13)12-7-4-6(2)5-11-9(7)10/h1,4-5H,2H3,(H,12,13).
What are the key properties of N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide?
N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide has a molecular weight of 239.07 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide is sourced from PubChem (CID 130595304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).