1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid

C11H8F3N3O2 — CID 79868930

IUPAC1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1(C(=O)O)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-6(5-15)8(16-7)17-10(3-4-10)9(18)19/h1-2H,3-4H2,(H,16,17)(H,18,19)
InChIKeyVWJXMRHUPCXWHH-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.00
Rot. Bonds3

About 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid

1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 79868930) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid
PubChem CID79868930
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1(C(=O)O)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-6(5-15)8(16-7)17-10(3-4-10)9(18)19/h1-2H,3-4H2,(H,16,17)(H,18,19)
InChIKeyVWJXMRHUPCXWHH-UHFFFAOYSA-N
XLogP2.00
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid (CID 79868930) is 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid is N#Cc1ccc(C(F)(F)F)nc1NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is VWJXMRHUPCXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-2-1-6(5-15)8(16-7)17-10(3-4-10)9(18)19/h1-2H,3-4H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid?
1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79868930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).