4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium

C7H6ClN2O2Y- — CID 159772832

IUPAC4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium
SMILESCc1[c-]c(N)c(Cl)c(C(=O)O)n1.[Y]
InChIInChI=1S/C7H6ClN2O2.Y/c1-3-2-4(9)5(8)6(10-3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;
InChIKeyFFTXEZKNLKDKKK-UHFFFAOYSA-N
MW274.50 g/mol
LogP1.12
Rot. Bonds1

About 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium

4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium (PubChem CID 159772832) has the molecular formula C7H6ClN2O2Y- and a molecular weight of 274.50 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium.

Molecular Properties

Compound Name4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium
PubChem CID159772832
Molecular FormulaC7H6ClN2O2Y-
Molecular Weight274.50 g/mol
Exact Mass273.92
IUPAC Name4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium
SMILESCc1[c-]c(N)c(Cl)c(C(=O)O)n1.[Y]
InChIInChI=1S/C7H6ClN2O2.Y/c1-3-2-4(9)5(8)6(10-3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;
InChIKeyFFTXEZKNLKDKKK-UHFFFAOYSA-N
XLogP1.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-chloro-2-methylpyrimidine-4-carboxylic acid
CID 83868984
4-amino-5-chloro-3-methyl-2H-pyridin-2-ide-6-carboxylic acid;yttrium
CID 59809499
6-amino-5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872138
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
CID 129321029
5-chloro-2-methyl-6-(methylamino)pyrimidine-4-carboxylic acid
CID 83868987
4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid
CID 58504035
2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130102887
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;hydrate
CID 67084337
4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 22677351
5,6-dichloro-2-iodopyrimidine-4-carboxylic acid
CID 143326586
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The IUPAC name of 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium (CID 159772832) is 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium.
What is the SMILES notation for 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The canonical SMILES for 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium is Cc1[c-]c(N)c(Cl)c(C(=O)O)n1.[Y].
What is the InChIKey of 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The InChIKey is FFTXEZKNLKDKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN2O2.Y/c1-3-2-4(9)5(8)6(10-3)7(11)12;/h1H3,(H2,9,10)(H,11,12);/q-1;.
What are the key properties of 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium?
4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium has a molecular weight of 274.50 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methyl-3H-pyridin-3-ide-6-carboxylic acid;yttrium is sourced from PubChem (CID 159772832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).