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

C10H10ClN3 — CID 82611382

IUPAC2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCc2cc(C#N)c(Cl)nc2C1
InChIInChI=1S/C10H10ClN3/c1-14-3-2-7-4-8(5-12)10(11)13-9(7)6-14/h4H,2-3,6H2,1H3
InChIKeyJCLXOUXASRBRIK-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.59
Rot. Bonds

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

2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 82611382) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID82611382
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESCN1CCc2cc(C#N)c(Cl)nc2C1
InChIInChI=1S/C10H10ClN3/c1-14-3-2-7-4-8(5-12)10(11)13-9(7)6-14/h4H,2-3,6H2,1H3
InChIKeyJCLXOUXASRBRIK-UHFFFAOYSA-N
XLogP1.59
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.59
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-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 82611382) is 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is CN1CCc2cc(C#N)c(Cl)nc2C1.
What is the InChIKey of 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is JCLXOUXASRBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-14-3-2-7-4-8(5-12)10(11)13-9(7)6-14/h4H,2-3,6H2,1H3.
What are the key properties of 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 82611382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).