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

C16H10ClN3O2 — CID 137266371

IUPAC4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C16H10ClN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,19H,1H3,(H,20,21)/b19-15-
InChIKeyKXARBOWRYCBALB-CYVLTUHYSA-N
MW311.73 g/mol
LogP3.10
Rot. Bonds1

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

4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 137266371) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID137266371
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C16H10ClN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,19H,1H3,(H,20,21)/b19-15-
InChIKeyKXARBOWRYCBALB-CYVLTUHYSA-N
XLogP3.10
TPSA93.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(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-(3,4-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 930726
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 930727
(4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 1546344

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 137266371) is 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is KXARBOWRYCBALB-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c1-8-5-12-14(16(21)20-8)13(11(7-18)15(19)22-12)9-3-2-4-10(17)6-9/h2-6,19H,1H3,(H,20,21)/b19-15-.
What are the key properties of 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile?
4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 311.73 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 137266371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).