ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid

C14H13F2NO2 — CID 169198239

IUPACethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cc(F)c(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H7F2NO2.C2H6/c13-8-3-1-7(2-4-8)9-6-15-11(12(16)17)5-10(9)14;1-2/h1-6H,(H,16,17);1-2H3
InChIKeyFZGYZLYXYROCBL-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.75
Rot. Bonds2

About ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid

ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 169198239) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID169198239
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Nameethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cc(F)c(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H7F2NO2.C2H6/c13-8-3-1-7(2-4-8)9-6-15-11(12(16)17)5-10(9)14;1-2/h1-6H,(H,16,17);1-2H3
InChIKeyFZGYZLYXYROCBL-UHFFFAOYSA-N
XLogP3.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-(3-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 79691259
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
6-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23502836
4-amino-5-fluoropyridine-2-carboxylic acid
CID 121230968
5-(4-fluorophenyl)-2-methylpyrimidine-4-carbothioic S-acid
CID 141029561
5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
CID 53223825
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
2-fluoro-5-(4-fluorophenyl)-4-methylpyridine
CID 46312606
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 115491187
6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
CID 166105311

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid (CID 169198239) is ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid is CC.O=C(O)c1cc(F)c(-c2ccc(F)cc2)cn1.
What is the InChIKey of ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is FZGYZLYXYROCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2.C2H6/c13-8-3-1-7(2-4-8)9-6-15-11(12(16)17)5-10(9)14;1-2/h1-6H,(H,16,17);1-2H3.
What are the key properties of ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid?
ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-5-(4-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169198239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).