(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H12Cl2N2O — CID 106313612

IUPAC(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O/c1-8-3-2-4-16(7-8)12(17)9-5-10(13)15-11(14)6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyNVJGSKHIFXQJFZ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.18
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106313612) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106313612
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C12H12Cl2N2O/c1-8-3-2-4-16(7-8)12(17)9-5-10(13)15-11(14)6-9/h3,5-6H,2,4,7H2,1H3
InChIKeyNVJGSKHIFXQJFZ-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106313612) is (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NVJGSKHIFXQJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-8-3-2-4-16(7-8)12(17)9-5-10(13)15-11(14)6-9/h3,5-6H,2,4,7H2,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 271.15 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106313612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).