3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine

C16H14N2O3 — CID 18987732

IUPAC3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine
SMILESCC1(C)C=C(c2cccnc2)c2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C16H14N2O3/c1-16(2)9-14(11-4-3-7-17-10-11)13-8-12(18(19)20)5-6-15(13)21-16/h3-10H,1-2H3
InChIKeySJVGEYAKZXLKKY-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.59
Rot. Bonds2

About 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine

3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine (PubChem CID 18987732) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine.

Molecular Properties

Compound Name3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine
PubChem CID18987732
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine
SMILESCC1(C)C=C(c2cccnc2)c2cc([N+](=O)[O-])ccc2O1
InChIInChI=1S/C16H14N2O3/c1-16(2)9-14(11-4-3-7-17-10-11)13-8-12(18(19)20)5-6-15(13)21-16/h3-10H,1-2H3
InChIKeySJVGEYAKZXLKKY-UHFFFAOYSA-N
XLogP3.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine?
The IUPAC name of 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine (CID 18987732) is 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine.
What is the SMILES notation for 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine?
The canonical SMILES for 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine is CC1(C)C=C(c2cccnc2)c2cc([N+](=O)[O-])ccc2O1.
What is the InChIKey of 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine?
The InChIKey is SJVGEYAKZXLKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-16(2)9-14(11-4-3-7-17-10-11)13-8-12(18(19)20)5-6-15(13)21-16/h3-10H,1-2H3.
What are the key properties of 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine?
3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine has a molecular weight of 282.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine is sourced from PubChem (CID 18987732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).