2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile

C14H11N3O3 — CID 82092784

IUPAC2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile
SMILESCOc1ccccc1C(C#N)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-11(14)12(8-15)13-7-6-10(9-16-13)17(18)19/h2-7,9,12H,1H3
InChIKeyWONUHNVJWFVDFN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile

2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile (PubChem CID 82092784) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile
PubChem CID82092784
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile
SMILESCOc1ccccc1C(C#N)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-11(14)12(8-15)13-7-6-10(9-16-13)17(18)19/h2-7,9,12H,1H3
InChIKeyWONUHNVJWFVDFN-UHFFFAOYSA-N
XLogP2.65
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(3-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile
CID 82092785
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351
(2S)-2-(6-chloropyrimidin-4-yl)-2-(2-methoxyphenyl)acetonitrile
CID 146674037
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
tert-butyl (2S)-2-cyano-2-(5-nitro-2-pyridinyl)acetate
CID 86314184
2-(5-hydroxy-3-pyridinyl)-2-(2-methoxyphenyl)acetonitrile
CID 15369624
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
3,3-dimethyl-2-(5-nitro-2-pyridinyl)butanoic acid
CID 118156200
5-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 71283944
2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile
CID 82080460
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile (CID 82092784) is 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile is COc1ccccc1C(C#N)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile?
The InChIKey is WONUHNVJWFVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-11(14)12(8-15)13-7-6-10(9-16-13)17(18)19/h2-7,9,12H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile?
2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile has a molecular weight of 269.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 82092784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).