trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid

C9H9NO2 — CID 39235850

IUPACtrans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)/t7-,8+/m0/s1
InChIKeyYFOFMIZNXREQAS-JGVFFNPUSA-N
MW163.18 g/mol
LogP1.27
Rot. Bonds2

About trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid (PubChem CID 39235850) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
PubChem CID39235850
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Nametrans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccncc1
InChIInChI=1S/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)/t7-,8+/m0/s1
InChIKeyYFOFMIZNXREQAS-JGVFFNPUSA-N
XLogP1.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
(3S,4R)-1-(oxan-4-yl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72939902
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid (CID 39235850) is trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccncc1.
What is the InChIKey of trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid?
The InChIKey is YFOFMIZNXREQAS-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 39235850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).