2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C18H15ClFN3O3 — CID 90407610

IUPAC2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H15ClFN3O3/c1-26-7-6-23-10-22-16(15-9-12(18(24)25)4-5-21-15)17(23)11-2-3-13(19)14(20)8-11/h2-5,8-10H,6-7H2,1H3,(H,24,25)
InChIKeyVLLCQYVSOVCPKS-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.75
Rot. Bonds6

About 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407610) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407610
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H15ClFN3O3/c1-26-7-6-23-10-22-16(15-9-12(18(24)25)4-5-21-15)17(23)11-2-3-13(19)14(20)8-11/h2-5,8-10H,6-7H2,1H3,(H,24,25)
InChIKeyVLLCQYVSOVCPKS-UHFFFAOYSA-N
XLogP3.75
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
4-(3-Chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978687
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76285806
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(pyridin-3-ylmethyl)prop-2-enoic acid
CID 10070112
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(pyridin-2-ylmethyl)prop-2-enoic acid
CID 10319356
3-[4-[[2-Butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid
CID 10453569
Ethyl 2-(6-chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylate
CID 16195235
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721
3-[2-Butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]benzoic acid
CID 9951184
2-[2-Butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]benzoic acid
CID 10474222
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[methyl(phenyl)amino]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76287754

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407610) is 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid is COCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is VLLCQYVSOVCPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-26-7-6-23-10-22-16(15-9-12(18(24)25)4-5-21-15)17(23)11-2-3-13(19)14(20)8-11/h2-5,8-10H,6-7H2,1H3,(H,24,25).
What are the key properties of 2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 375.79 g/mol, XLogP of 3.75, 6 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-fluorophenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).