ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid

C14H23NO2 — CID 170751211

IUPACethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCC.CC.Cc1cccc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H11NO2.2C2H6/c1-6-3-2-4-9(11-6)7-5-8(7)10(12)13;2*1-2/h2-4,7-8H,5H2,1H3,(H,12,13);2*1-2H3
InChIKeyPEVKDCDGZRTNAJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.63
Rot. Bonds2

About ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid

ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid (PubChem CID 170751211) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
PubChem CID170751211
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
SMILESCC.CC.Cc1cccc(C2CC2C(=O)O)n1
InChIInChI=1S/C10H11NO2.2C2H6/c1-6-3-2-4-9(11-6)7-5-8(7)10(12)13;2*1-2/h2-4,7-8H,5H2,1H3,(H,12,13);2*1-2H3
InChIKeyPEVKDCDGZRTNAJ-UHFFFAOYSA-N
XLogP3.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The IUPAC name of ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid (CID 170751211) is ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid is CC.CC.Cc1cccc(C2CC2C(=O)O)n1.
What is the InChIKey of ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid?
The InChIKey is PEVKDCDGZRTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.2C2H6/c1-6-3-2-4-9(11-6)7-5-8(7)10(12)13;2*1-2/h2-4,7-8H,5H2,1H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid?
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170751211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).