2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde

C11H9F2N3O2 — CID 155311087

IUPAC2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(-c2ccc(OC(F)F)cn2)nc1C=O
InChIInChI=1S/C11H9F2N3O2/c1-6-9(5-17)16-10(15-6)8-3-2-7(4-14-8)18-11(12)13/h2-5,11H,1H3,(H,15,16)
InChIKeyLXPBWSQLJFFFBI-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.19
Rot. Bonds4

About 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde

2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde (PubChem CID 155311087) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde
PubChem CID155311087
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(-c2ccc(OC(F)F)cn2)nc1C=O
InChIInChI=1S/C11H9F2N3O2/c1-6-9(5-17)16-10(15-6)8-3-2-7(4-14-8)18-11(12)13/h2-5,11H,1H3,(H,15,16)
InChIKeyLXPBWSQLJFFFBI-UHFFFAOYSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 171363837
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
5-(difluoromethoxy)-2-pyridin-4-ylpyridine
CID 46316882
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
4-(difluoromethoxy)benzaldehyde
CID 2736986
5-[4-(difluoromethoxy)phenyl]-1H-pyrrole-2-carbaldehyde
CID 165490290
5-(difluoromethoxy)pyridine-2-sulfinic acid
CID 146013721
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
2-(4-bromo-1-methylpyrazol-3-yl)-5-(difluoromethoxy)pyridine
CID 162760811
2-(2,5-dimethyl-1H-imidazo[1,2-a]imidazol-6-yl)-5-methyl-1H-imidazole-4-carbaldehyde
CID 82386394
2-(2,4-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 170837762
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde?
The IUPAC name of 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde (CID 155311087) is 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde is Cc1[nH]c(-c2ccc(OC(F)F)cn2)nc1C=O.
What is the InChIKey of 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde?
The InChIKey is LXPBWSQLJFFFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c1-6-9(5-17)16-10(15-6)8-3-2-7(4-14-8)18-11(12)13/h2-5,11H,1H3,(H,15,16).
What are the key properties of 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde?
2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde has a molecular weight of 253.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 155311087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).