pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid

C46H35N7O22 — CID 175213000

IUPACpyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1cccnc1C(=O)O.O=C(O)c1ccnc(C(=O)O)c1.O=C(O)c1ccncc1
InChIInChI=1S/4C7H5NO4.3C6H5NO2/c9-6(10)4-1-2-8-5(3-4)7(11)12;9-6(10)4-1-2-5(7(11)12)8-3-4;9-6(10)4-2-1-3-8-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5/h4*1-3H,(H,9,10)(H,11,12);3*1-4H,(H,8,9)
InChIKeyQLKOAXROBIBVMR-UHFFFAOYSA-N
MW1037.81 g/mol
LogP4.25
Rot. Bonds11

About pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid

pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid (PubChem CID 175213000) has the molecular formula C46H35N7O22 and a molecular weight of 1037.81 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namepyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid
PubChem CID175213000
Molecular FormulaC46H35N7O22
Molecular Weight1037.81 g/mol
Exact Mass1037.18
IUPAC Namepyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1cccnc1C(=O)O.O=C(O)c1ccnc(C(=O)O)c1.O=C(O)c1ccncc1
InChIInChI=1S/4C7H5NO4.3C6H5NO2/c9-6(10)4-1-2-8-5(3-4)7(11)12;9-6(10)4-1-2-5(7(11)12)8-3-4;9-6(10)4-2-1-3-8-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5/h4*1-3H,(H,9,10)(H,11,12);3*1-4H,(H,8,9)
InChIKeyQLKOAXROBIBVMR-UHFFFAOYSA-N
XLogP4.25
TPSA500.53 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.81
LogP ≤ 54.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid with MolForge

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Related Compounds

pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579
pyridine-2-carboxylic acid;pyridine-4-carboxylic acid
CID 70268469
pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
pyridine-2,5-dicarboxylic acid
CID 158970171
pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
CID 161251773
2-(hydrazinecarbonyl)benzoic acid;3-(hydrazinecarbonyl)benzoic acid;4-(hydrazinecarbonyl)benzoic acid;5-(hydrazinecarbonyl)pyridine-2-carboxylic acid;6-(hydrazinecarbonyl)pyridine-3-carboxylic acid
CID 158397888
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
CID 157283677
CID 157283677
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
nickel;pyridine-3-carboxylic acid
CID 174049937

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid?
The IUPAC name of pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid (CID 175213000) is pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid?
The canonical SMILES for pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)nc1.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1ccccn1.O=C(O)c1cccnc1.O=C(O)c1cccnc1C(=O)O.O=C(O)c1ccnc(C(=O)O)c1.O=C(O)c1ccncc1.
What is the InChIKey of pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid?
The InChIKey is QLKOAXROBIBVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H5NO4.3C6H5NO2/c9-6(10)4-1-2-8-5(3-4)7(11)12;9-6(10)4-1-2-5(7(11)12)8-3-4;9-6(10)4-2-1-3-8-5(4)7(11)12;9-6(10)4-2-1-3-5(8-4)7(11)12;8-6(9)5-1-3-7-4-2-5;8-6(9)5-2-1-3-7-4-5;8-6(9)5-3-1-2-4-7-5/h4*1-3H,(H,9,10)(H,11,12);3*1-4H,(H,8,9).
What are the key properties of pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid?
pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid has a molecular weight of 1037.81 g/mol, XLogP of 4.25, 11 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,4-dicarboxylic acid;pyridine-2,5-dicarboxylic acid;pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 175213000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).