lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride

C19H12Cl2LiN3O6 — CID 173235220

IUPAClithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+]
InChIInChI=1S/C19H11Cl2N3O6.Li.H/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29;;/h1-9H,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyUYDXPQWIRLALIT-UHFFFAOYSA-N
MW456.17 g/mol
LogP2.16
Rot. Bonds6

About lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride

lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride (PubChem CID 173235220) has the molecular formula C19H12Cl2LiN3O6 and a molecular weight of 456.17 g/mol. Its IUPAC name is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride.

Molecular Properties

Compound Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
PubChem CID173235220
Molecular FormulaC19H12Cl2LiN3O6
Molecular Weight456.17 g/mol
Exact Mass455.03
IUPAC Namelithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+]
InChIInChI=1S/C19H11Cl2N3O6.Li.H/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29;;/h1-9H,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyUYDXPQWIRLALIT-UHFFFAOYSA-N
XLogP2.16
TPSA131.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
CID 173235212
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
2-[(2,4-dichlorobenzoyl)amino]-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 59060311
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
4-[(3-chloro-5-nitro-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 104629656
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013

Frequently Asked Questions

What is the IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride?
The IUPAC name of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride (CID 173235220) is lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride.
What is the SMILES notation for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride?
The canonical SMILES for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride is O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl.[H-].[Li+].
What is the InChIKey of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride?
The InChIKey is UYDXPQWIRLALIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O6.Li.H/c20-10-1-4-13(15(21)7-10)18(25)23-16-5-3-12(8-14(16)19(26)27)30-17-6-2-11(9-22-17)24(28)29;;/h1-9H,(H,23,25)(H,26,27);;/q;+1;-1.
What are the key properties of lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride?
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride has a molecular weight of 456.17 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride is sourced from PubChem (CID 173235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).