6-methylpyrimidine-4-carboxylic acid;hydrochloride

C6H7ClN2O2 — CID 167720893

IUPAC6-methylpyrimidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)O)ncn1.Cl
InChIInChI=1S/C6H6N2O2.ClH/c1-4-2-5(6(9)10)8-3-7-4;/h2-3H,1H3,(H,9,10);1H
InChIKeyLDWWORSQHQXNQY-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.91
Rot. Bonds1

About 6-methylpyrimidine-4-carboxylic acid;hydrochloride

6-methylpyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 167720893) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 6-methylpyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-methylpyrimidine-4-carboxylic acid;hydrochloride
PubChem CID167720893
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name6-methylpyrimidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(C(=O)O)ncn1.Cl
InChIInChI=1S/C6H6N2O2.ClH/c1-4-2-5(6(9)10)8-3-7-4;/h2-3H,1H3,(H,9,10);1H
InChIKeyLDWWORSQHQXNQY-UHFFFAOYSA-N
XLogP0.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrimidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 6-methylpyrimidine-4-carboxylic acid;hydrochloride (CID 167720893) is 6-methylpyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-methylpyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 6-methylpyrimidine-4-carboxylic acid;hydrochloride is Cc1cc(C(=O)O)ncn1.Cl.
What is the InChIKey of 6-methylpyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is LDWWORSQHQXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.ClH/c1-4-2-5(6(9)10)8-3-7-4;/h2-3H,1H3,(H,9,10);1H.
What are the key properties of 6-methylpyrimidine-4-carboxylic acid;hydrochloride?
6-methylpyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 174.59 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrimidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 167720893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).