bis(5-butylpyridine-2-carboxylic acid);copper(1+)

C20H26CuN2O4+ — CID 42613105

IUPACbis(5-butylpyridine-2-carboxylic acid);copper(1+)
SMILESCCCCc1ccc(C(=O)O)nc1.CCCCc1ccc(C(=O)O)nc1.[Cu+]
InChIInChI=1S/2C10H13NO2.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;/h2*5-7H,2-4H2,1H3,(H,12,13);/q;;+1
InChIKeyBVJXTBGAXFGSGZ-UHFFFAOYSA-N
MW421.98 g/mol
LogP4.24
Rot. Bonds8

About bis(5-butylpyridine-2-carboxylic acid);copper(1+)

bis(5-butylpyridine-2-carboxylic acid);copper(1+) (PubChem CID 42613105) has the molecular formula C20H26CuN2O4+ and a molecular weight of 421.98 g/mol. Its IUPAC name is bis(5-butylpyridine-2-carboxylic acid);copper(1+).

Molecular Properties

Compound Namebis(5-butylpyridine-2-carboxylic acid);copper(1+)
PubChem CID42613105
Molecular FormulaC20H26CuN2O4+
Molecular Weight421.98 g/mol
Exact Mass421.12
IUPAC Namebis(5-butylpyridine-2-carboxylic acid);copper(1+)
SMILESCCCCc1ccc(C(=O)O)nc1.CCCCc1ccc(C(=O)O)nc1.[Cu+]
InChIInChI=1S/2C10H13NO2.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;/h2*5-7H,2-4H2,1H3,(H,12,13);/q;;+1
InChIKeyBVJXTBGAXFGSGZ-UHFFFAOYSA-N
XLogP4.24
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.98
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918
5-(4-butylphenyl)pyrazine-2-carboxylic acid
CID 15919161
2-aminoethyl 5-butylpyridine-2-carboxylate
CID 54300012
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
[(2R,3R)-3-hydroxybutan-2-yl] 5-butylpyridine-2-carboxylate
CID 146682367
4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 172619009
5-[(octanoylamino)methyl]pyridine-2-carboxylic acid
CID 81099659
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
CID 10068146
5-butylpyridine-2-carboxylic acid;5-decyl-2-(2,4-difluorobenzene-6-id-1-yl)pyrimidine;iridium
CID 140591475
5-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090384

Frequently Asked Questions

What is the IUPAC name of bis(5-butylpyridine-2-carboxylic acid);copper(1+)?
The IUPAC name of bis(5-butylpyridine-2-carboxylic acid);copper(1+) (CID 42613105) is bis(5-butylpyridine-2-carboxylic acid);copper(1+).
What is the SMILES notation for bis(5-butylpyridine-2-carboxylic acid);copper(1+)?
The canonical SMILES for bis(5-butylpyridine-2-carboxylic acid);copper(1+) is CCCCc1ccc(C(=O)O)nc1.CCCCc1ccc(C(=O)O)nc1.[Cu+].
What is the InChIKey of bis(5-butylpyridine-2-carboxylic acid);copper(1+)?
The InChIKey is BVJXTBGAXFGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13NO2.Cu/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;/h2*5-7H,2-4H2,1H3,(H,12,13);/q;;+1.
What are the key properties of bis(5-butylpyridine-2-carboxylic acid);copper(1+)?
bis(5-butylpyridine-2-carboxylic acid);copper(1+) has a molecular weight of 421.98 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-butylpyridine-2-carboxylic acid);copper(1+) is sourced from PubChem (CID 42613105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).