2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid

C14H11ClN2O4 — CID 61058340

IUPAC2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C14H11ClN2O4/c15-9-4-5-16-12(6-9)14(20)17-10-2-1-3-11(7-10)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyFQXJBEFCHTYWLO-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid

2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 61058340) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID61058340
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cc(Cl)ccn2)c1
InChIInChI=1S/C14H11ClN2O4/c15-9-4-5-16-12(6-9)14(20)17-10-2-1-3-11(7-10)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyFQXJBEFCHTYWLO-UHFFFAOYSA-N
XLogP2.45
TPSA88.52 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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
CID 119224878
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
CID 61058223
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
CID 59654625
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid (CID 61058340) is 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cc(Cl)ccn2)c1.
What is the InChIKey of 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is FQXJBEFCHTYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-9-4-5-16-12(6-9)14(20)17-10-2-1-3-11(7-10)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 306.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61058340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).