5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile

C10H7ClN4 — CID 100988447

IUPAC5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile
SMILESCc1ccc2c(N)nc(Cl)c(C#N)c2n1
InChIInChI=1S/C10H7ClN4/c1-5-2-3-6-8(14-5)7(4-12)9(11)15-10(6)13/h2-3H,1H3,(H2,13,15)
InChIKeyGNKQQMAVNVUOAG-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.05
Rot. Bonds

About 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile

5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile (PubChem CID 100988447) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile
PubChem CID100988447
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile
SMILESCc1ccc2c(N)nc(Cl)c(C#N)c2n1
InChIInChI=1S/C10H7ClN4/c1-5-2-3-6-8(14-5)7(4-12)9(11)15-10(6)13/h2-3H,1H3,(H2,13,15)
InChIKeyGNKQQMAVNVUOAG-UHFFFAOYSA-N
XLogP2.05
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;8-bromo-2-chloro-7-methylquinazolin-4-amine;8-bromo-2,4-dichloro-7-methylquinazoline;hydrate
CID 157202370
7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile
CID 100988453
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
8-dimethylphosphanyloxy-2-methylquinoline-5-carbonitrile
CID 143305369
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
6-chloro-2-methylquinolin-5-amine
CID 15571773
4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
CID 82094973
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
2,4,6-trichloro-8-fluoro-7-methylquinoline-3-carbonitrile
CID 166822994

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile (CID 100988447) is 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile is Cc1ccc2c(N)nc(Cl)c(C#N)c2n1.
What is the InChIKey of 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile?
The InChIKey is GNKQQMAVNVUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c1-5-2-3-6-8(14-5)7(4-12)9(11)15-10(6)13/h2-3H,1H3,(H2,13,15).
What are the key properties of 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile?
5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile has a molecular weight of 218.65 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-2-methyl-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 100988447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).