lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide

C14H12LiN3O3 — CID 20828536

IUPAClithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide
SMILESCOc1ccc(C(=[N-])Cc2cccnc2)cc1[N+](=O)[O-].[Li+]
InChIInChI=1S/C14H12N3O3.Li/c1-20-14-5-4-11(8-13(14)17(18)19)12(15)7-10-3-2-6-16-9-10;/h2-6,8-9H,7H2,1H3;/q-1;+1
InChIKeyCTQZSLBCBNHTED-UHFFFAOYSA-N
MW277.21 g/mol
LogP-0.40
Rot. Bonds5

About lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide

lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide (PubChem CID 20828536) has the molecular formula C14H12LiN3O3 and a molecular weight of 277.21 g/mol. Its IUPAC name is lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide.

Molecular Properties

Compound Namelithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide
PubChem CID20828536
Molecular FormulaC14H12LiN3O3
Molecular Weight277.21 g/mol
Exact Mass277.10
IUPAC Namelithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide
SMILESCOc1ccc(C(=[N-])Cc2cccnc2)cc1[N+](=O)[O-].[Li+]
InChIInChI=1S/C14H12N3O3.Li/c1-20-14-5-4-11(8-13(14)17(18)19)12(15)7-10-3-2-6-16-9-10;/h2-6,8-9H,7H2,1H3;/q-1;+1
InChIKeyCTQZSLBCBNHTED-UHFFFAOYSA-N
XLogP-0.40
TPSA87.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(4-methoxy-3-nitrophenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227185
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
2-(2-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61056876
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891

Frequently Asked Questions

What is the IUPAC name of lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide?
The IUPAC name of lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide (CID 20828536) is lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide.
What is the SMILES notation for lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide?
The canonical SMILES for lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide is COc1ccc(C(=[N-])Cc2cccnc2)cc1[N+](=O)[O-].[Li+].
What is the InChIKey of lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide?
The InChIKey is CTQZSLBCBNHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3O3.Li/c1-20-14-5-4-11(8-13(14)17(18)19)12(15)7-10-3-2-6-16-9-10;/h2-6,8-9H,7H2,1H3;/q-1;+1.
What are the key properties of lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide?
lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide has a molecular weight of 277.21 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [1-(4-methoxy-3-nitrophenyl)-2-pyridin-3-ylethylidene]azanide is sourced from PubChem (CID 20828536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).