2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

C14H11F3N2O2 — CID 134623990

IUPAC2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESNc1c(CC(=O)O)ccnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)13-12(18)8(4-5-19-13)7-11(20)21/h1-6H,7,18H2,(H,20,21)
InChIKeySFUQVRFJPVHVDW-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.98
Rot. Bonds3

About 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 134623990) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID134623990
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESNc1c(CC(=O)O)ccnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)13-12(18)8(4-5-19-13)7-11(20)21/h1-6H,7,18H2,(H,20,21)
InChIKeySFUQVRFJPVHVDW-UHFFFAOYSA-N
XLogP2.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 134623990) is 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is Nc1c(CC(=O)O)ccnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is SFUQVRFJPVHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-9(6-10)13-12(18)8(4-5-19-13)7-11(20)21/h1-6H,7,18H2,(H,20,21).
What are the key properties of 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 296.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 134623990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).