(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C16H16FNO3 — CID 115794555

IUPAC(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(OC(C)C)c2)cc1F
InChIInChI=1S/C16H16FNO3/c1-10(2)21-13-6-12(8-18-9-13)16(19)11-4-5-15(20-3)14(17)7-11/h4-10H,1-3H3
InChIKeyDHQIIMPKHYMXDZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.25
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 115794555) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID115794555
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(OC(C)C)c2)cc1F
InChIInChI=1S/C16H16FNO3/c1-10(2)21-13-6-12(8-18-9-13)16(19)11-4-5-15(20-3)14(17)7-11/h4-10H,1-3H3
InChIKeyDHQIIMPKHYMXDZ-UHFFFAOYSA-N
XLogP3.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
(3-amino-4-chlorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116552234
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 115794555) is (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is COc1ccc(C(=O)c2cncc(OC(C)C)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is DHQIIMPKHYMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10(2)21-13-6-12(8-18-9-13)16(19)11-4-5-15(20-3)14(17)7-11/h4-10H,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 289.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).