2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C10H5F6N3O2 — CID 154666940

IUPAC2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)O
InChIInChI=1S/C10H5F6N3O2/c11-9(12,13)5-1-6(10(14,15)16)19-8(4(5)2-17)18-3-7(20)21/h1H,3H2,(H,18,19)(H,20,21)
InChIKeyXJUDZAANHYYJAT-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.49
Rot. Bonds3

About 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 154666940) has the molecular formula C10H5F6N3O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID154666940
Molecular FormulaC10H5F6N3O2
Molecular Weight313.16 g/mol
Exact Mass313.03
IUPAC Name2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)O
InChIInChI=1S/C10H5F6N3O2/c11-9(12,13)5-1-6(10(14,15)16)19-8(4(5)2-17)18-3-7(20)21/h1H,3H2,(H,18,19)(H,20,21)
InChIKeyXJUDZAANHYYJAT-UHFFFAOYSA-N
XLogP2.49
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 154666940) is 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1NCC(=O)O.
What is the InChIKey of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is XJUDZAANHYYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N3O2/c11-9(12,13)5-1-6(10(14,15)16)19-8(4(5)2-17)18-3-7(20)21/h1H,3H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 313.16 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4,6-bis(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 154666940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).