carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate

C13H10ClN3O4 — CID 91052781

IUPACcarbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(Cl)c(N)c2)ccn1
InChIInChI=1S/C13H10ClN3O4/c14-9-2-1-7(5-10(9)15)20-8-3-4-17-11(6-8)12(18)21-13(16)19/h1-6H,15H2,(H2,16,19)
InChIKeyWBIYTFLDDCLRBM-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.35
Rot. Bonds3

About carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate

carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate (PubChem CID 91052781) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
PubChem CID91052781
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Namecarbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
SMILESNC(=O)OC(=O)c1cc(Oc2ccc(Cl)c(N)c2)ccn1
InChIInChI=1S/C13H10ClN3O4/c14-9-2-1-7(5-10(9)15)20-8-3-4-17-11(6-8)12(18)21-13(16)19/h1-6H,15H2,(H2,16,19)
InChIKeyWBIYTFLDDCLRBM-UHFFFAOYSA-N
XLogP2.35
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 90741979
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 62113277
carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91324843
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
carbamoyl 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-(2-methoxyethyl)-2-oxo-1,3,5-triazinan-1-yl]-3-fluorophenoxy]pyridine-2-carboxylate
CID 91263736
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
carbamoyl 4-[4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-hydroxypropyl)-3-oxo-1,2,4-triazinan-2-yl]-3-fluorophenoxy]pyridine-2-carboxylate
CID 91281769
methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate?
The IUPAC name of carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate (CID 91052781) is carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate is NC(=O)OC(=O)c1cc(Oc2ccc(Cl)c(N)c2)ccn1.
What is the InChIKey of carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate?
The InChIKey is WBIYTFLDDCLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-9-2-1-7(5-10(9)15)20-8-3-4-17-11(6-8)12(18)21-13(16)19/h1-6H,15H2,(H2,16,19).
What are the key properties of carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate?
carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate has a molecular weight of 307.69 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 91052781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).