1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C10H9Cl2N3 — CID 617683

IUPAC1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(Cl)nc(Cl)c2C1
InChIInChI=1S/C10H9Cl2N3/c1-15-3-2-6-7(4-13)9(11)14-10(12)8(6)5-15/h2-3,5H2,1H3
InChIKeyLFIDGHPVULHBNN-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.25
Rot. Bonds

About 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 617683) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID617683
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(Cl)nc(Cl)c2C1
InChIInChI=1S/C10H9Cl2N3/c1-15-3-2-6-7(4-13)9(11)14-10(12)8(6)5-15/h2-3,5H2,1H3
InChIKeyLFIDGHPVULHBNN-UHFFFAOYSA-N
XLogP2.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.25
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 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 617683) is 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(Cl)nc(Cl)c2C1.
What is the InChIKey of 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is LFIDGHPVULHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-15-3-2-6-7(4-13)9(11)14-10(12)8(6)5-15/h2-3,5H2,1H3.
What are the key properties of 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 242.11 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 617683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).