acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine

C9H10ClF3N2O2 — CID 22938239

IUPACacetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCC(=O)O.NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.C2H4O2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;1-2(3)4/h1,3H,2,12H2;1H3,(H,3,4)
InChIKeySZKNZEDOFVRAFQ-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.30
Rot. Bonds1

About acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine

acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 22938239) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Nameacetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID22938239
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Nameacetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCC(=O)O.NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H6ClF3N2.C2H4O2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;1-2(3)4/h1,3H,2,12H2;1H3,(H,3,4)
InChIKeySZKNZEDOFVRAFQ-UHFFFAOYSA-N
XLogP2.30
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 22938239) is acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine is CC(=O)O.NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is SZKNZEDOFVRAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2.C2H4O2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;1-2(3)4/h1,3H,2,12H2;1H3,(H,3,4).
What are the key properties of acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine?
acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 270.64 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 22938239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).