3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane

C14H21ClF3N3O2 — CID 144795849

IUPAC3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane
SMILESCC.CC1(CN)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C12H15ClF3N3O2.C2H6/c1-10(3-17)5-21-8-6(10)2-7(19-9(8)13)11(20,4-18)12(14,15)16;1-2/h2,20H,3-5,17-18H2,1H3;1-2H3
InChIKeyVRJPUPPKTALDPT-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane

3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane (PubChem CID 144795849) has the molecular formula C14H21ClF3N3O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane.

Molecular Properties

Compound Name3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane
PubChem CID144795849
Molecular FormulaC14H21ClF3N3O2
Molecular Weight355.79 g/mol
Exact Mass355.13
IUPAC Name3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane
SMILESCC.CC1(CN)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C12H15ClF3N3O2.C2H6/c1-10(3-17)5-21-8-6(10)2-7(19-9(8)13)11(20,4-18)12(14,15)16;1-2/h2,20H,3-5,17-18H2,1H3;1-2H3
InChIKeyVRJPUPPKTALDPT-UHFFFAOYSA-N
XLogP2.08
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane?
The IUPAC name of 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane (CID 144795849) is 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane.
What is the SMILES notation for 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane?
The canonical SMILES for 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane is CC.CC1(CN)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.
What is the InChIKey of 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane?
The InChIKey is VRJPUPPKTALDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2.C2H6/c1-10(3-17)5-21-8-6(10)2-7(19-9(8)13)11(20,4-18)12(14,15)16;1-2/h2,20H,3-5,17-18H2,1H3;1-2H3.
What are the key properties of 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane?
3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane has a molecular weight of 355.79 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane is sourced from PubChem (CID 144795849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).