N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide

C11H13ClN2O2 — CID 14708120

IUPACN-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O
InChIInChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-5-8(12)13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyQTIICTFBNRXNRF-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.53
Rot. Bonds2

About N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide

N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 14708120) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID14708120
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O
InChIInChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-5-8(12)13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyQTIICTFBNRXNRF-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 14708120) is N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(Cl)ccc1C=O.
What is the InChIKey of N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is QTIICTFBNRXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-5-8(12)13-9/h4-6H,1-3H3,(H,13,14,16).
What are the key properties of N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 240.69 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 14708120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).