2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate

C19H16BrNO3 — CID 11383592

IUPAC2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(OC(=O)c1cc2cc(Br)ccc2cc1O)c1ccncc1
InChIInChI=1S/C19H16BrNO3/c1-19(2,14-5-7-21-8-6-14)24-18(23)16-10-13-9-15(20)4-3-12(13)11-17(16)22/h3-11,22H,1-2H3
InChIKeyPWDGURYPKFRGEP-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.80
Rot. Bonds3

About 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate

2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate (PubChem CID 11383592) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate
PubChem CID11383592
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate
SMILESCC(C)(OC(=O)c1cc2cc(Br)ccc2cc1O)c1ccncc1
InChIInChI=1S/C19H16BrNO3/c1-19(2,14-5-7-21-8-6-14)24-18(23)16-10-13-9-15(20)4-3-12(13)11-17(16)22/h3-11,22H,1-2H3
InChIKeyPWDGURYPKFRGEP-UHFFFAOYSA-N
XLogP4.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate (CID 11383592) is 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate is CC(C)(OC(=O)c1cc2cc(Br)ccc2cc1O)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is PWDGURYPKFRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-19(2,14-5-7-21-8-6-14)24-18(23)16-10-13-9-15(20)4-3-12(13)11-17(16)22/h3-11,22H,1-2H3.
What are the key properties of 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate?
2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 386.25 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpropan-2-yl 7-bromo-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 11383592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).