[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate

C11H11F6N3O4 — CID 118387198

IUPAC[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
SMILESCOc1nc(OC(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N3O4/c1-23-7-4(10(12,13)14)2-5(18)8(20-7)24-9(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
InChIKeyUFAPVPWFQLRFGR-UHFFFAOYSA-N
MW363.21 g/mol
LogP1.70
Rot. Bonds4

About [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate

[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate (PubChem CID 118387198) has the molecular formula C11H11F6N3O4 and a molecular weight of 363.21 g/mol. Its IUPAC name is [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
PubChem CID118387198
Molecular FormulaC11H11F6N3O4
Molecular Weight363.21 g/mol
Exact Mass363.07
IUPAC Name[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate
SMILESCOc1nc(OC(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H11F6N3O4/c1-23-7-4(10(12,13)14)2-5(18)8(20-7)24-9(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
InChIKeyUFAPVPWFQLRFGR-UHFFFAOYSA-N
XLogP1.70
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate?
The IUPAC name of [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate (CID 118387198) is [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate.
What is the SMILES notation for [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate?
The canonical SMILES for [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate is COc1nc(OC(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate?
The InChIKey is UFAPVPWFQLRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O4/c1-23-7-4(10(12,13)14)2-5(18)8(20-7)24-9(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22).
What are the key properties of [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate?
[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate has a molecular weight of 363.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl] N-(3,3,3-trifluoro-2-hydroxypropyl)carbamate is sourced from PubChem (CID 118387198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).