methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate

C15H16F2N2O3 — CID 174957430

IUPACmethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(C(C)C)[nH]c1-c1cccnc1OC(F)F
InChIInChI=1S/C15H16F2N2O3/c1-8(2)11-7-10(14(20)21-3)12(19-11)9-5-4-6-18-13(9)22-15(16)17/h4-8,15,19H,1-3H3
InChIKeyFNCWTLSEEXHCHU-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate

methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate (PubChem CID 174957430) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate
PubChem CID174957430
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(C(C)C)[nH]c1-c1cccnc1OC(F)F
InChIInChI=1S/C15H16F2N2O3/c1-8(2)11-7-10(14(20)21-3)12(19-11)9-5-4-6-18-13(9)22-15(16)17/h4-8,15,19H,1-3H3
InChIKeyFNCWTLSEEXHCHU-UHFFFAOYSA-N
XLogP3.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate (CID 174957430) is methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate is COC(=O)c1cc(C(C)C)[nH]c1-c1cccnc1OC(F)F.
What is the InChIKey of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate?
The InChIKey is FNCWTLSEEXHCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-8(2)11-7-10(14(20)21-3)12(19-11)9-5-4-6-18-13(9)22-15(16)17/h4-8,15,19H,1-3H3.
What are the key properties of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate?
methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate has a molecular weight of 310.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 174957430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).