(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C12H12F3NO2 — CID 165405569

IUPAC(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)11(4-5-11)8(7-10(17)18)9-3-1-2-6-16-9/h1-3,6,8H,4-5,7H2,(H,17,18)/t8-/m0/s1
InChIKeyIBNYDMCXYOQSEO-QMMMGPOBSA-N
MW259.23 g/mol
LogP2.98
Rot. Bonds4

About (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165405569) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165405569
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)11(4-5-11)8(7-10(17)18)9-3-1-2-6-16-9/h1-3,6,8H,4-5,7H2,(H,17,18)/t8-/m0/s1
InChIKeyIBNYDMCXYOQSEO-QMMMGPOBSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405329
(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165404920
2-pyridin-2-ylbutanedioic acid
CID 67462885
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
(3R)-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 167631600
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165405569) is (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@@H](c1ccccn1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is IBNYDMCXYOQSEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)11(4-5-11)8(7-10(17)18)9-3-1-2-6-16-9/h1-3,6,8H,4-5,7H2,(H,17,18)/t8-/m0/s1.
What are the key properties of (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 259.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165405569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).