3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid

C14H11ClN2O4 — CID 102663375

IUPAC3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESNC(=O)c1ccc(COc2cnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c15-11-5-8(13(16)18)1-2-9(11)7-21-12-6-17-4-3-10(12)14(19)20/h1-6H,7H2,(H2,16,18)(H,19,20)
InChIKeyTUECSGSRQZYIRI-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.11
Rot. Bonds5

About 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid

3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 102663375) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID102663375
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESNC(=O)c1ccc(COc2cnccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c15-11-5-8(13(16)18)1-2-9(11)7-21-12-6-17-4-3-10(12)14(19)20/h1-6H,7H2,(H2,16,18)(H,19,20)
InChIKeyTUECSGSRQZYIRI-UHFFFAOYSA-N
XLogP2.11
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445483
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
3-[2-(2-bromo-4-chlorophenoxy)ethoxy]pyridine-4-carboxylic acid
CID 81438776

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid (CID 102663375) is 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid is NC(=O)c1ccc(COc2cnccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is TUECSGSRQZYIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-11-5-8(13(16)18)1-2-9(11)7-21-12-6-17-4-3-10(12)14(19)20/h1-6H,7H2,(H2,16,18)(H,19,20).
What are the key properties of 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid?
3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 102663375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).