[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone

C17H17ClF3N3O2 — CID 103596257

IUPAC[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C
InChIInChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3
InChIKeyRRMCNHRAVQERJP-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.54
Rot. Bonds2

About [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone

[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone (PubChem CID 103596257) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
PubChem CID103596257
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C
InChIInChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3
InChIKeyRRMCNHRAVQERJP-UHFFFAOYSA-N
XLogP3.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone (CID 103596257) is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C.
What is the InChIKey of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RRMCNHRAVQERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3.
What are the key properties of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 387.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 103596257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).