4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile

C16H9Cl2N3O2 — CID 137270631

IUPAC4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C16H9Cl2N3O2/c1-7-4-12-14(16(22)21-7)13(10(6-19)15(20)23-12)9-3-2-8(17)5-11(9)18/h2-5,20H,1H3,(H,21,22)/b20-15-
InChIKeyXWTLAUJUFRPKOC-HKWRFOASSA-N
MW346.17 g/mol
LogP3.75
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile

4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 137270631) has the molecular formula C16H9Cl2N3O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID137270631
Molecular FormulaC16H9Cl2N3O2
Molecular Weight346.17 g/mol
Exact Mass345.01
IUPAC Name4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C16H9Cl2N3O2/c1-7-4-12-14(16(22)21-7)13(10(6-19)15(20)23-12)9-3-2-8(17)5-11(9)18/h2-5,20H,1H3,(H,21,22)/b20-15-
InChIKeyXWTLAUJUFRPKOC-HKWRFOASSA-N
XLogP3.75
TPSA93.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 945714
(4R)-2-amino-4-(2-chloro-6-fluorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 945715
2-amino-4-(2-chloro-6-fluorophenyl)-5-hydroxy-7-methyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3525363
2-Amino-4-(2-chloro-6-fluorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 23475363
4-(3-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137259025
4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137267851
4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137294235
[3-[3-(2,4-Dichlorophenyl)propanoylamino]-4-methyl-2-oxo-1-benzazepin-5-yl] acetate
CID 88366493
(4S)-2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 930529
(4R)-2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 930530
(4S)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950621
(4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 950622

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 137270631) is 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is XWTLAUJUFRPKOC-HKWRFOASSA-N. The full InChI is InChI=1S/C16H9Cl2N3O2/c1-7-4-12-14(16(22)21-7)13(10(6-19)15(20)23-12)9-3-2-8(17)5-11(9)18/h2-5,20H,1H3,(H,21,22)/b20-15-.
What are the key properties of 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 346.17 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 137270631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).