4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile

C13H9N3O2 — CID 20537539

IUPAC4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H9N3O2/c1-9-6-11(8-14)15-13(7-9)10-2-4-12(5-3-10)16(17)18/h2-7H,1H3
InChIKeyNRSUPOZZOQQRIB-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.84
Rot. Bonds2

About 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile

4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile (PubChem CID 20537539) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
PubChem CID20537539
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
SMILESCc1cc(C#N)nc(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H9N3O2/c1-9-6-11(8-14)15-13(7-9)10-2-4-12(5-3-10)16(17)18/h2-7H,1H3
InChIKeyNRSUPOZZOQQRIB-UHFFFAOYSA-N
XLogP2.84
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylphenyl)-4-(4-nitrophenyl)-2-propoxypyridine-3-carbonitrile
CID 169450172
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine
CID 59104297
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
2-methyl-4-(4-nitrophenyl)-6-(trifluoromethyl)pyrimidine
CID 154708173
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
(6R)-6-methyl-2-(4-nitrophenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125451132
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile?
The IUPAC name of 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile (CID 20537539) is 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile is Cc1cc(C#N)nc(-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile?
The InChIKey is NRSUPOZZOQQRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c1-9-6-11(8-14)15-13(7-9)10-2-4-12(5-3-10)16(17)18/h2-7H,1H3.
What are the key properties of 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile?
4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile has a molecular weight of 239.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 20537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).