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

C14H16ClF3N2O2 — CID 122501488

IUPAC3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@]1(C2CC2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C14H16ClF3N2O2/c1-12(7-2-3-7)6-22-10-8(12)4-9(20-11(10)15)13(21,5-19)14(16,17)18/h4,7,21H,2-3,5-6,19H2,1H3/t12-,13?/m1/s1
InChIKeyKSBCHYHGAWKHJL-PZORYLMUSA-N
MW336.74 g/mol
LogP2.50
Rot. Bonds3

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

3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122501488) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID122501488
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@]1(C2CC2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl
InChIInChI=1S/C14H16ClF3N2O2/c1-12(7-2-3-7)6-22-10-8(12)4-9(20-11(10)15)13(21,5-19)14(16,17)18/h4,7,21H,2-3,5-6,19H2,1H3/t12-,13?/m1/s1
InChIKeyKSBCHYHGAWKHJL-PZORYLMUSA-N
XLogP2.50
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (CID 122501488) is 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is C[C@]1(C2CC2)COc2c1cc(C(O)(CN)C(F)(F)F)nc2Cl.
What is the InChIKey of 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KSBCHYHGAWKHJL-PZORYLMUSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-12(7-2-3-7)6-22-10-8(12)4-9(20-11(10)15)13(21,5-19)14(16,17)18/h4,7,21H,2-3,5-6,19H2,1H3/t12-,13?/m1/s1.
What are the key properties of 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 336.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3R)-7-chloro-3-cyclopropyl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122501488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).