2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid

C11H10ClF3N2O2 — CID 64616049

IUPAC2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-17)1-9(18)19/h2-3,6H,1,4-5H2,(H,18,19)
InChIKeyKAWSSVGGWCGWOV-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.66
Rot. Bonds3

About 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid

2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid (PubChem CID 64616049) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
PubChem CID64616049
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-17)1-9(18)19/h2-3,6H,1,4-5H2,(H,18,19)
InChIKeyKAWSSVGGWCGWOV-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663830
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
methyl 4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carbonyl]piperazine-1-carboxylate
CID 110208778
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 133293899

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid (CID 64616049) is 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
The InChIKey is KAWSSVGGWCGWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-2-7(11(13,14)15)3-16-10(8)17-4-6(5-17)1-9(18)19/h2-3,6H,1,4-5H2,(H,18,19).
What are the key properties of 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid?
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid has a molecular weight of 294.66 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).