(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H13ClFNO2 — CID 114885218

IUPAC(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3
InChIKeyLUKYADODHLEPRN-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds5

About (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone

(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 114885218) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID114885218
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13ClFNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3
InChIKeyLUKYADODHLEPRN-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 114885218) is (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is LUKYADODHLEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone?
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 293.73 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 114885218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).