6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

C8H7ClN2O2 — CID 83681204

IUPAC6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H7ClN2O2/c9-6-3-5(8(12)13)10-7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)
InChIKeyLWCHFHHLCPQQDD-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.71
Rot. Bonds2

About 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid (PubChem CID 83681204) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid
PubChem CID83681204
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H7ClN2O2/c9-6-3-5(8(12)13)10-7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)
InChIKeyLWCHFHHLCPQQDD-UHFFFAOYSA-N
XLogP1.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid (CID 83681204) is 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid?
The InChIKey is LWCHFHHLCPQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-6-3-5(8(12)13)10-7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,13).
What are the key properties of 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid?
6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid has a molecular weight of 198.61 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83681204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).