N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide

C9H10BrClN2O — CID 79018492

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
SMILESCc1nc(NC(=O)C(C)Cl)ccc1Br
InChIInChI=1S/C9H10BrClN2O/c1-5(11)9(14)13-8-4-3-7(10)6(2)12-8/h3-5H,1-2H3,(H,12,13,14)
InChIKeySETJNRCFMUNHNY-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.72
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide (PubChem CID 79018492) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
PubChem CID79018492
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
SMILESCc1nc(NC(=O)C(C)Cl)ccc1Br
InChIInChI=1S/C9H10BrClN2O/c1-5(11)9(14)13-8-4-3-7(10)6(2)12-8/h3-5H,1-2H3,(H,12,13,14)
InChIKeySETJNRCFMUNHNY-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 79048664
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide (CID 79018492) is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide is Cc1nc(NC(=O)C(C)Cl)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide?
The InChIKey is SETJNRCFMUNHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-5(11)9(14)13-8-4-3-7(10)6(2)12-8/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide has a molecular weight of 277.55 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide is sourced from PubChem (CID 79018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).