2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid

C12H12ClF3N2O2 — CID 43656368

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2O2/c13-9-3-8(12(14,15)16)4-17-11(9)18(6-10(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,19,20)
InChIKeySIQXXEVXWHFOML-UHFFFAOYSA-N
MW308.69 g/mol
LogP3.05
Rot. Bonds5

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656368) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656368
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2O2/c13-9-3-8(12(14,15)16)4-17-11(9)18(6-10(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,19,20)
InChIKeySIQXXEVXWHFOML-UHFFFAOYSA-N
XLogP3.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid (CID 43656368) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is SIQXXEVXWHFOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c13-9-3-8(12(14,15)16)4-17-11(9)18(6-10(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,19,20).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 308.69 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).