1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid

C8H7ClN2O2 — CID 126980335

IUPAC1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C8H7ClN2O2/c9-5-3-10-6(11-4-5)8(1-2-8)7(12)13/h3-4H,1-2H2,(H,12,13)
InChIKeyKWTQNESHOSKGSU-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.25
Rot. Bonds2

About 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid

1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 126980335) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID126980335
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C8H7ClN2O2/c9-5-3-10-6(11-4-5)8(1-2-8)7(12)13/h3-4H,1-2H2,(H,12,13)
InChIKeyKWTQNESHOSKGSU-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 84799324
1-(5-methoxypyrimidin-2-yl)cyclobutane-1-carboxylic acid
CID 84780117
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid
CID 96629349
1-(1,3-oxazol-2-yl)cyclopropane-1-carboxylic acid
CID 82595098
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 71743266
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(4-chloro-3-pyridinyl)cyclopentane-1-carboxylic acid
CID 115009157
1-(2-chloro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84789863
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid (CID 126980335) is 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KWTQNESHOSKGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-5-3-10-6(11-4-5)8(1-2-8)7(12)13/h3-4H,1-2H2,(H,12,13).
What are the key properties of 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid?
1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 198.61 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).