trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid

C10H7ClF3NO2 — CID 166452050

IUPACtrans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO2/c11-7-1-4(10(12,13)14)3-15-8(7)5-2-6(5)9(16)17/h1,3,5-6H,2H2,(H,16,17)/t5-,6-/m1/s1
InChIKeyZKNGLGMQSRAEDV-PHDIDXHHSA-N
MW265.62 g/mol
LogP2.94
Rot. Bonds2

About trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 166452050) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID166452050
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Nametrans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO2/c11-7-1-4(10(12,13)14)3-15-8(7)5-2-6(5)9(16)17/h1,3,5-6H,2H2,(H,16,17)/t5-,6-/m1/s1
InChIKeyZKNGLGMQSRAEDV-PHDIDXHHSA-N
XLogP2.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 166452050) is trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZKNGLGMQSRAEDV-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-7-1-4(10(12,13)14)3-15-8(7)5-2-6(5)9(16)17/h1,3,5-6H,2H2,(H,16,17)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.62 g/mol, XLogP of 2.94, 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166452050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).