6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid

C21H17ClFNO5 — CID 66869646

IUPAC6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)nc2-c2cc(F)c(Cl)c(OC)c2)cc1
InChIInChI=1S/C21H17ClFNO5/c1-27-14-5-3-12(4-6-14)11-29-17-8-7-16(21(25)26)24-20(17)13-9-15(23)19(22)18(10-13)28-2/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyYYVKVLHPPNMVNI-UHFFFAOYSA-N
MW417.82 g/mol
LogP4.84
Rot. Bonds7

About 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid

6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 66869646) has the molecular formula C21H17ClFNO5 and a molecular weight of 417.82 g/mol. Its IUPAC name is 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID66869646
Molecular FormulaC21H17ClFNO5
Molecular Weight417.82 g/mol
Exact Mass417.08
IUPAC Name6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(COc2ccc(C(=O)O)nc2-c2cc(F)c(Cl)c(OC)c2)cc1
InChIInChI=1S/C21H17ClFNO5/c1-27-14-5-3-12(4-6-14)11-29-17-8-7-16(21(25)26)24-20(17)13-9-15(23)19(22)18(10-13)28-2/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyYYVKVLHPPNMVNI-UHFFFAOYSA-N
XLogP4.84
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid with MolForge

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Related Compounds

5-(2-chloro-5-ethoxyphenyl)-6-[4-chloro-3-[(4-methoxyphenyl)methoxy]phenyl]pyridine-2-carboxylic acid
CID 68887736
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[3-chloro-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione
CID 161287346
1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 86688727
6-(4-chloro-3-phenylmethoxyphenyl)-5-(trifluoromethylsulfonyloxy)pyridine-2-carboxylic acid
CID 87613481
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
4-ethyl-2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-5-carboxylic acid
CID 20987877
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid (CID 66869646) is 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid is COc1ccc(COc2ccc(C(=O)O)nc2-c2cc(F)c(Cl)c(OC)c2)cc1.
What is the InChIKey of 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is YYVKVLHPPNMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO5/c1-27-14-5-3-12(4-6-14)11-29-17-8-7-16(21(25)26)24-20(17)13-9-15(23)19(22)18(10-13)28-2/h3-10H,11H2,1-2H3,(H,25,26).
What are the key properties of 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid?
6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 417.82 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluoro-5-methoxyphenyl)-5-[(4-methoxyphenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 66869646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).