(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone

C13H8Cl2FNO2 — CID 82807772

IUPAC(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ncc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-10-4-2-3-8(11(10)16)13(18)12-9(15)5-7(14)6-17-12/h2-6H,1H3
InChIKeySSTZFHARMGZFME-UHFFFAOYSA-N
MW300.12 g/mol
LogP3.77
Rot. Bonds3

About (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone

(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 82807772) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID82807772
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ncc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H8Cl2FNO2/c1-19-10-4-2-3-8(11(10)16)13(18)12-9(15)5-7(14)6-17-12/h2-6H,1H3
InChIKeySSTZFHARMGZFME-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(3,5-dichloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methanone
CID 79786089
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2-fluoro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methanone
CID 105123706
(3,5-dichloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421518
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
CID 103125146
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114641511

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone (CID 82807772) is (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ncc(Cl)cc2Cl)c1F.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is SSTZFHARMGZFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c1-19-10-4-2-3-8(11(10)16)13(18)12-9(15)5-7(14)6-17-12/h2-6H,1H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone?
(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 300.12 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 82807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).