2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride

C8H9ClN2O2 — CID 166025567

IUPAC2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2.ClH/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;/h1-3,5-6H,4H2,(H,11,12);1H
InChIKeyKEKNWXJQZHPFMB-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.09
Rot. Bonds2

About 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride

2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 166025567) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID166025567
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2.ClH/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;/h1-3,5-6H,4H2,(H,11,12);1H
InChIKeyKEKNWXJQZHPFMB-UHFFFAOYSA-N
XLogP1.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride (CID 166025567) is 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC1c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is KEKNWXJQZHPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.ClH/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;/h1-3,5-6H,4H2,(H,11,12);1H.
What are the key properties of 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride?
2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 166025567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).