N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide

C10H13ClN2O2 — CID 134114175

IUPACN-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)/N=c1\ccn(O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)9(14)12-7-4-5-13(15)8(11)6-7/h4-6,15H,1-3H3/b12-7+
InChIKeyQUQBIJPECAJYMS-KPKJPENVSA-N
MW228.68 g/mol
LogP1.85
Rot. Bonds

About N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide

N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide (PubChem CID 134114175) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide
PubChem CID134114175
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)/N=c1\ccn(O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)9(14)12-7-4-5-13(15)8(11)6-7/h4-6,15H,1-3H3/b12-7+
InChIKeyQUQBIJPECAJYMS-KPKJPENVSA-N
XLogP1.85
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide (CID 134114175) is N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide is CC(C)(C)C(=O)/N=c1\ccn(O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide?
The InChIKey is QUQBIJPECAJYMS-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,3)9(14)12-7-4-5-13(15)8(11)6-7/h4-6,15H,1-3H3/b12-7+.
What are the key properties of N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide?
N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide has a molecular weight of 228.68 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 134114175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).