trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid

C8H7ClN2O2 — CID 135239855

IUPACtrans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1cnc(Cl)cn1
InChIInChI=1S/C8H7ClN2O2/c9-7-3-10-6(2-11-7)4-1-5(4)8(12)13/h2-5H,1H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyMBAGZRVOUCEBTB-WHFBIAKZSA-N
MW198.61 g/mol
LogP1.32
Rot. Bonds2

About trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 135239855) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID135239855
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Nametrans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1c1cnc(Cl)cn1
InChIInChI=1S/C8H7ClN2O2/c9-7-3-10-6(2-11-7)4-1-5(4)8(12)13/h2-5H,1H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyMBAGZRVOUCEBTB-WHFBIAKZSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
2-(3,5-dichloro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 66918073
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
2-(4-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 175483462
trans-(1S,2S)-2-[5-[[5-(2,6-dichlorophenyl)-2-fluorophenyl]methoxy]pyrazin-2-yl]cyclopropane-1-carboxylic acid
CID 146451758
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571
trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 166452050
2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878956
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid (CID 135239855) is trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1c1cnc(Cl)cn1.
What is the InChIKey of trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is MBAGZRVOUCEBTB-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-3-10-6(2-11-7)4-1-5(4)8(12)13/h2-5H,1H2,(H,12,13)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 198.61 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135239855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).