CID 91986542

C7H5K2NO4 — CID 91986542

IUPAC—
SMILESO=C(O)c1cccc(C(=O)O)n1.[K].[K]
InChIInChI=1S/C7H5NO4.2K/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;
InChIKeyCMVHNJGDGMYTCL-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.28
Rot. Bonds2

About CID 91986542

CID 91986542 (PubChem CID 91986542) has the molecular formula C7H5K2NO4 and a molecular weight of 245.32 g/mol.

Molecular Properties

Compound NameCID 91986542
PubChem CID91986542
Molecular FormulaC7H5K2NO4
Molecular Weight245.32 g/mol
Exact Mass244.95
IUPAC Name—
SMILESO=C(O)c1cccc(C(=O)O)n1.[K].[K]
InChIInChI=1S/C7H5NO4.2K/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;
InChIKeyCMVHNJGDGMYTCL-UHFFFAOYSA-N
XLogP-0.28
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629
6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
CID 177483783
6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
CID 137133766
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(dimethylaminocarbamoyl)pyridine-2-carboxylic acid
CID 83023717
pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
CID 161251773
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122

Frequently Asked Questions

What is the IUPAC name of CID 91986542?
The IUPAC name of CID 91986542 (CID 91986542) is not available.
What is the SMILES notation for CID 91986542?
The canonical SMILES for CID 91986542 is O=C(O)c1cccc(C(=O)O)n1.[K].[K].
What is the InChIKey of CID 91986542?
The InChIKey is CMVHNJGDGMYTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.2K/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-3H,(H,9,10)(H,11,12);;.
What are the key properties of CID 91986542?
CID 91986542 has a molecular weight of 245.32 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91986542 is sourced from PubChem (CID 91986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).