trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate

C10H10ClNO2 — CID 170693888

IUPACtrans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccn1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)8-5-7(8)9-4-6(11)2-3-12-9/h2-4,7-8H,5H2,1H3/t7-,8-/m0/s1
InChIKeyPKVDWVMJLHPIRH-YUMQZZPRSA-N
MW211.65 g/mol
LogP2.01
Rot. Bonds2

About trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 170693888) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID170693888
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Nametrans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccn1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)8-5-7(8)9-4-6(11)2-3-12-9/h2-4,7-8H,5H2,1H3/t7-,8-/m0/s1
InChIKeyPKVDWVMJLHPIRH-YUMQZZPRSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate (CID 170693888) is trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1c1cc(Cl)ccn1.
What is the InChIKey of trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is PKVDWVMJLHPIRH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)8-5-7(8)9-4-6(11)2-3-12-9/h2-4,7-8H,5H2,1H3/t7-,8-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 211.65 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170693888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).