2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid

C22H18FNO3 — CID 157371303

IUPAC2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Cc1ccc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C22H18FNO3/c23-20-12-15(14-3-1-4-18(11-14)27-17-8-9-17)6-7-16(20)13-21-19(22(25)26)5-2-10-24-21/h1-7,10-12,17H,8-9,13H2,(H,25,26)
InChIKeyBJUJXEXUQUALCA-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.72
Rot. Bonds6

About 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid

2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 157371303) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
PubChem CID157371303
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Cc1ccc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C22H18FNO3/c23-20-12-15(14-3-1-4-18(11-14)27-17-8-9-17)6-7-16(20)13-21-19(22(25)26)5-2-10-24-21/h1-7,10-12,17H,8-9,13H2,(H,25,26)
InChIKeyBJUJXEXUQUALCA-UHFFFAOYSA-N
XLogP4.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11261037
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CID 44560792
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid
CID 44560793
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
5-(2-(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)cyclopent-1-enyl)nicotinic acid
CID 21112865
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CID 24895783
8-Fluoro-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967790
5-(2-(2-(4-Fluorobenzyloxy)-5-chlorophenyl)cyclopent-1-enyl)-2-methylnicotinic acid
CID 44430775
4-[1-({[5-Fluoro-2-(4-fluorophenoxy)pyridin-3-YL]carbonyl}amino)-1-methylethyl]benzoic acid
CID 58905379
(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
CID 118145020
(2S,3R)-3-cyclopropyl-3-[3-[[(7R)-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]oxy]phenyl]-2-methylpropanoic acid
CID 118145140
(2S,3R)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 118637996

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid (CID 157371303) is 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Cc1ccc(-c2cccc(OC3CC3)c2)cc1F.
What is the InChIKey of 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is BJUJXEXUQUALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-20-12-15(14-3-1-4-18(11-14)27-17-8-9-17)6-7-16(20)13-21-19(22(25)26)5-2-10-24-21/h1-7,10-12,17H,8-9,13H2,(H,25,26).
What are the key properties of 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 363.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclopropyloxyphenyl)-2-fluorophenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157371303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).