5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

C22H17N3O3 — CID 157409192

IUPAC5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(COc3ccc(C4=CC=NC4)nc3)c2)c1
InChIInChI=1S/C22H17N3O3/c26-22(27)19-9-18(11-24-12-19)16-3-1-2-15(8-16)14-28-20-4-5-21(25-13-20)17-6-7-23-10-17/h1-9,11-13H,10,14H2,(H,26,27)
InChIKeyBOBRSQLEOPMDOC-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.89
Rot. Bonds6

About 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 157409192) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
PubChem CID157409192
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(COc3ccc(C4=CC=NC4)nc3)c2)c1
InChIInChI=1S/C22H17N3O3/c26-22(27)19-9-18(11-24-12-19)16-3-1-2-15(8-16)14-28-20-4-5-21(25-13-20)17-6-7-23-10-17/h1-9,11-13H,10,14H2,(H,26,27)
InChIKeyBOBRSQLEOPMDOC-UHFFFAOYSA-N
XLogP3.89
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-[[3-(1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967624
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
5-[[3-[3-[(4-pentan-3-yl-N-propan-2-ylanilino)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 24821641
3-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]benzoic acid
CID 66805737
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
5-[[4-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 71120682

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (CID 157409192) is 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cccc(COc3ccc(C4=CC=NC4)nc3)c2)c1.
What is the InChIKey of 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is BOBRSQLEOPMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22(27)19-9-18(11-24-12-19)16-3-1-2-15(8-16)14-28-20-4-5-21(25-13-20)17-6-7-23-10-17/h1-9,11-13H,10,14H2,(H,26,27).
What are the key properties of 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[6-(2H-pyrrol-3-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157409192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).