2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone

C14H11ClFNO — CID 105135626

IUPAC2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C14H11ClFNO/c1-9-2-3-11(8-17-9)14(18)6-10-4-5-12(15)7-13(10)16/h2-5,7-8H,6H2,1H3
InChIKeyBARIGHNMPZYMPY-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 105135626) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID105135626
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C14H11ClFNO/c1-9-2-3-11(8-17-9)14(18)6-10-4-5-12(15)7-13(10)16/h2-5,7-8H,6H2,1H3
InChIKeyBARIGHNMPZYMPY-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105135621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone (CID 105135626) is 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)Cc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is BARIGHNMPZYMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9-2-3-11(8-17-9)14(18)6-10-4-5-12(15)7-13(10)16/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 263.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105135626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).