2-chloro-4-methylpyrimidine-5-carboxylic acid

C6H5ClN2O2 — CID 10487414

IUPAC2-chloro-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C6H5ClN2O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)
InChIKeyDSEHPQBQVDLHSK-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-4-methylpyrimidine-5-carboxylic acid

2-chloro-4-methylpyrimidine-5-carboxylic acid (PubChem CID 10487414) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-chloro-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-methylpyrimidine-5-carboxylic acid
PubChem CID10487414
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-chloro-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)ncc1C(=O)O
InChIInChI=1S/C6H5ClN2O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)
InChIKeyDSEHPQBQVDLHSK-UHFFFAOYSA-N
XLogP1.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-chloro-4-methylpyrimidine-5-carboxylic acid (CID 10487414) is 2-chloro-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-methylpyrimidine-5-carboxylic acid is Cc1nc(Cl)ncc1C(=O)O.
What is the InChIKey of 2-chloro-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is DSEHPQBQVDLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11).
What are the key properties of 2-chloro-4-methylpyrimidine-5-carboxylic acid?
2-chloro-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 172.57 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 10487414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).