4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile

C10H5Cl2N3O — CID 169147546

IUPAC4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile
SMILESCn1c(=O)c(C#N)c(Cl)c2ccnc(Cl)c21
InChIInChI=1S/C10H5Cl2N3O/c1-15-8-5(2-3-14-9(8)12)7(11)6(4-13)10(15)16/h2-3H,1H3
InChIKeyYSCCYQKGTYEZMC-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.11
Rot. Bonds

About 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile

4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile (PubChem CID 169147546) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile
PubChem CID169147546
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile
SMILESCn1c(=O)c(C#N)c(Cl)c2ccnc(Cl)c21
InChIInChI=1S/C10H5Cl2N3O/c1-15-8-5(2-3-14-9(8)12)7(11)6(4-13)10(15)16/h2-3H,1H3
InChIKeyYSCCYQKGTYEZMC-UHFFFAOYSA-N
XLogP2.11
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile (CID 169147546) is 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile is Cn1c(=O)c(C#N)c(Cl)c2ccnc(Cl)c21.
What is the InChIKey of 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile?
The InChIKey is YSCCYQKGTYEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c1-15-8-5(2-3-14-9(8)12)7(11)6(4-13)10(15)16/h2-3H,1H3.
What are the key properties of 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile?
4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile has a molecular weight of 254.08 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-1-methyl-2-oxo-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 169147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).