(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C14H11Cl2N3O — CID 61053714

IUPAC(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCc2ncccc2C1
InChIInChI=1S/C14H11Cl2N3O/c15-12-6-10(7-13(16)18-12)14(20)19-5-3-11-9(8-19)2-1-4-17-11/h1-2,4,6-7H,3,5,8H2
InChIKeyFPEIXVAIKLCCAT-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.98
Rot. Bonds1

About (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 61053714) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID61053714
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCc2ncccc2C1
InChIInChI=1S/C14H11Cl2N3O/c15-12-6-10(7-13(16)18-12)14(20)19-5-3-11-9(8-19)2-1-4-17-11/h1-2,4,6-7H,3,5,8H2
InChIKeyFPEIXVAIKLCCAT-UHFFFAOYSA-N
XLogP2.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 61053714) is (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1cc(Cl)nc(Cl)c1)N1CCc2ncccc2C1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is FPEIXVAIKLCCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-12-6-10(7-13(16)18-12)14(20)19-5-3-11-9(8-19)2-1-4-17-11/h1-2,4,6-7H,3,5,8H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 308.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 61053714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).