potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid

C19H17ClKN3O6 — CID 159950772

IUPACpotassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[2H]c1c(Cl)ccnc1C(=O)OC.[2H]c1cccnc1C(=O)O.[H-].[K+]
InChIInChI=1S/C7H6ClNO2.2C6H5NO2.K.H/c1-11-7(10)6-4-5(8)2-3-9-6;2*8-6(9)5-3-1-2-4-7-5;;/h2-4H,1H3;2*1-4H,(H,8,9);;/q;;;+1;-1/i4D;3D;;;
InChIKeyYIWYHFHWNDZCSY-KXUAVAPESA-N
MW459.92 g/mol
LogP0.20
Rot. Bonds3

About potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid

potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid (PubChem CID 159950772) has the molecular formula C19H17ClKN3O6 and a molecular weight of 459.92 g/mol. Its IUPAC name is potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid.

Molecular Properties

Compound Namepotassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid
PubChem CID159950772
Molecular FormulaC19H17ClKN3O6
Molecular Weight459.92 g/mol
Exact Mass459.06
IUPAC Namepotassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[2H]c1c(Cl)ccnc1C(=O)OC.[2H]c1cccnc1C(=O)O.[H-].[K+]
InChIInChI=1S/C7H6ClNO2.2C6H5NO2.K.H/c1-11-7(10)6-4-5(8)2-3-9-6;2*8-6(9)5-3-1-2-4-7-5;;/h2-4H,1H3;2*1-4H,(H,8,9);;/q;;;+1;-1/i4D;3D;;;
InChIKeyYIWYHFHWNDZCSY-KXUAVAPESA-N
XLogP0.20
TPSA139.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.92
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Chromium(III) picolinate
CID 151932
4-Chloropyridine-2-carboxylic acid
CID 230890
Chromium picolinate monohydrate
CID 22833491
5-Chloro-2-picolinic acid
CID 2762872
Methyl 4-Chloropicolinate
CID 820890
Methyl 3-chloropyridine-2-carboxylate
CID 15324396
4-Chloropyridine-2-carboxylic acid ethyl ester
CID 13015359
Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)
CID 16655470
Ferric picolinate
CID 11247217
Penicolinate B
CID 71521892
Pyridine-2-carboxylic anhydride
CID 85608
tris(picolinato)manganese(II)
CID 163710

Frequently Asked Questions

What is the IUPAC name of potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid?
The IUPAC name of potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid (CID 159950772) is potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid.
What is the SMILES notation for potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid?
The canonical SMILES for potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[2H]c1c(Cl)ccnc1C(=O)OC.[2H]c1cccnc1C(=O)O.[H-].[K+].
What is the InChIKey of potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid?
The InChIKey is YIWYHFHWNDZCSY-KXUAVAPESA-N. The full InChI is InChI=1S/C7H6ClNO2.2C6H5NO2.K.H/c1-11-7(10)6-4-5(8)2-3-9-6;2*8-6(9)5-3-1-2-4-7-5;;/h2-4H,1H3;2*1-4H,(H,8,9);;/q;;;+1;-1/i4D;3D;;;.
What are the key properties of potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid?
potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid has a molecular weight of 459.92 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-deuteriopyridine-2-carboxylic acid;hydride;methyl 4-chloro-3-deuteriopyridine-2-carboxylate;pyridine-2-carboxylic acid is sourced from PubChem (CID 159950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).