1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid

C10H8F3NO2 — CID 112706925

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)6-1-2-7(14-5-6)9(3-4-9)8(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyCLXSQANZEFLAKC-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.22
Rot. Bonds2

About 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid

1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 112706925) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID112706925
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)6-1-2-7(14-5-6)9(3-4-9)8(15)16/h1-2,5H,3-4H2,(H,15,16)
InChIKeyCLXSQANZEFLAKC-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-propan-2-yl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 115009111
8,8-dioxo-3-[5-(trifluoromethyl)-2-pyridinyl]-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171954420
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride
CID 159831242
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropane-1-carboxamide
CID 140758304
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 176896908
2-oxo-2-[2-[5-(trifluoromethyl)-2-pyridinyl]hydrazinyl]acetic acid
CID 151382008
1-[5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxylic acid
CID 115009001
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
1,4-bis(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,3a-dihydro-2H-indene-1-carboxylic acid
CID 69065190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 112706925) is 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is CLXSQANZEFLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)6-1-2-7(14-5-6)9(3-4-9)8(15)16/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 231.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112706925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).