5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid

C14H13ClN2O3 — CID 62989660

IUPAC5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
SMILESCOc1cc(CNc2ccc(Cl)cc2C(=O)O)ccn1
InChIInChI=1S/C14H13ClN2O3/c1-20-13-6-9(4-5-16-13)8-17-12-3-2-10(15)7-11(12)14(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyJOQMEJIYSHPKJC-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.05
Rot. Bonds5

About 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid

5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid (PubChem CID 62989660) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
PubChem CID62989660
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
SMILESCOc1cc(CNc2ccc(Cl)cc2C(=O)O)ccn1
InChIInChI=1S/C14H13ClN2O3/c1-20-13-6-9(4-5-16-13)8-17-12-3-2-10(15)7-11(12)14(18)19/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyJOQMEJIYSHPKJC-UHFFFAOYSA-N
XLogP3.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084
4-bromo-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 114907362
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 62995922
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
1-[(4-chlorophenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine
CID 111131126
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid (CID 62989660) is 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid is COc1cc(CNc2ccc(Cl)cc2C(=O)O)ccn1.
What is the InChIKey of 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid?
The InChIKey is JOQMEJIYSHPKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-13-6-9(4-5-16-13)8-17-12-3-2-10(15)7-11(12)14(18)19/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid?
5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid has a molecular weight of 292.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid is sourced from PubChem (CID 62989660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).