1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one

C17H15F2N5O2 — CID 126709747

IUPAC1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one
SMILESCCOc1ccc(-c2ccc(C(F)(F)C(=O)Cn3cnnn3)nc2)cc1
InChIInChI=1S/C17H15F2N5O2/c1-2-26-14-6-3-12(4-7-14)13-5-8-15(20-9-13)17(18,19)16(25)10-24-11-21-22-23-24/h3-9,11H,2,10H2,1H3
InChIKeyFFYMUCNIOMFHTQ-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.49
Rot. Bonds7

About 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one

1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one (PubChem CID 126709747) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one
PubChem CID126709747
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one
SMILESCCOc1ccc(-c2ccc(C(F)(F)C(=O)Cn3cnnn3)nc2)cc1
InChIInChI=1S/C17H15F2N5O2/c1-2-26-14-6-3-12(4-7-14)13-5-8-15(20-9-13)17(18,19)16(25)10-24-11-21-22-23-24/h3-9,11H,2,10H2,1H3
InChIKeyFFYMUCNIOMFHTQ-UHFFFAOYSA-N
XLogP2.49
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one with MolForge

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Related Compounds

3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
CID 118443718
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
2-[(2S)-2-(2-ethyl-4-fluorophenyl)-1,1-difluoro-2-methoxy-3-(tetrazol-1-yl)propyl]-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 146579597
magnesium [(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-yl] phosphate
CID 166653016
1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71143927
N-[2-[5-(4-ethoxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 66635076
2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
CID 118443851
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
4-[2-methyl-3-(tetrazol-1-yl)propoxy]benzoic acid
CID 139364228

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one (CID 126709747) is 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one is CCOc1ccc(-c2ccc(C(F)(F)C(=O)Cn3cnnn3)nc2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one?
The InChIKey is FFYMUCNIOMFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-2-26-14-6-3-12(4-7-14)13-5-8-15(20-9-13)17(18,19)16(25)10-24-11-21-22-23-24/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one?
1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one has a molecular weight of 359.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one is sourced from PubChem (CID 126709747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).