4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid

C19H14Cl2N2O3 — CID 10318129

IUPAC4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O3/c20-15-2-1-3-16(21)14(15)10-26-17-8-13(9-23-18(17)22)11-4-6-12(7-5-11)19(24)25/h1-9H,10H2,(H2,22,23)(H,24,25)
InChIKeyBRZQXFAQLGKAIG-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.91
Rot. Bonds5

About 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid

4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid (PubChem CID 10318129) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
PubChem CID10318129
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2N2O3/c20-15-2-1-3-16(21)14(15)10-26-17-8-13(9-23-18(17)22)11-4-6-12(7-5-11)19(24)25/h1-9H,10H2,(H2,22,23)(H,24,25)
InChIKeyBRZQXFAQLGKAIG-UHFFFAOYSA-N
XLogP4.91
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid (CID 10318129) is 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid?
The InChIKey is BRZQXFAQLGKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-15-2-1-3-16(21)14(15)10-26-17-8-13(9-23-18(17)22)11-4-6-12(7-5-11)19(24)25/h1-9H,10H2,(H2,22,23)(H,24,25).
What are the key properties of 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid?
4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid has a molecular weight of 389.24 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 10318129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).