trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate

C9H9ClN2O2 — CID 171758422

IUPACtrans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cnn1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-6(7)8-2-5(10)4-11-12-8/h2,4,6-7H,3H2,1H3/t6-,7-/m0/s1
InChIKeyOCEQSZBSZYZFRK-BQBZGAKWSA-N
MW212.64 g/mol
LogP1.41
Rot. Bonds2

About trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate (PubChem CID 171758422) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate
PubChem CID171758422
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Nametrans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)cnn1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-6(7)8-2-5(10)4-11-12-8/h2,4,6-7H,3H2,1H3/t6-,7-/m0/s1
InChIKeyOCEQSZBSZYZFRK-BQBZGAKWSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693888
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693913
trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate
CID 153459233
methyl 5-chloropyridazine-3-carboxylate
CID 131699995
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
CID 87712134
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
methyl (3S,4S)-4-(5-chloro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 57436785
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate (CID 171758422) is trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1c1cc(Cl)cnn1.
What is the InChIKey of trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate?
The InChIKey is OCEQSZBSZYZFRK-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)7-3-6(7)8-2-5(10)4-11-12-8/h2,4,6-7H,3H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate has a molecular weight of 212.64 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 171758422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).