2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

C17H14ClN3O3 — CID 90407428

IUPAC2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)ccc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-21-9-20-15(13-7-11(17(22)23)5-6-19-13)16(21)10-3-4-12(18)14(8-10)24-2/h3-9H,1-2H3,(H,22,23)
InChIKeyWDNVDHFDAHTYMI-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.51
Rot. Bonds4

About 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407428) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407428
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOc1cc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)ccc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-21-9-20-15(13-7-11(17(22)23)5-6-19-13)16(21)10-3-4-12(18)14(8-10)24-2/h3-9H,1-2H3,(H,22,23)
InChIKeyWDNVDHFDAHTYMI-UHFFFAOYSA-N
XLogP3.51
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid (CID 90407428) is 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is COc1cc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)ccc1Cl.
What is the InChIKey of 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is WDNVDHFDAHTYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-21-9-20-15(13-7-11(17(22)23)5-6-19-13)16(21)10-3-4-12(18)14(8-10)24-2/h3-9H,1-2H3,(H,22,23).
What are the key properties of 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).