calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride

C11H9BrCaO3 — CID 173370957

IUPACcalcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
SMILESO=C(O)c1cc2ccccc2c(Br)c1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C11H7BrO3.Ca.2H/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15;;;/h1-5,13H,(H,14,15);;;/q;+2;2*-1
InChIKeyDXWVNKGJSNZSRG-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.85
Rot. Bonds1

About calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride

calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride (PubChem CID 173370957) has the molecular formula C11H9BrCaO3 and a molecular weight of 309.17 g/mol. Its IUPAC name is calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride.

Molecular Properties

Compound Namecalcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
PubChem CID173370957
Molecular FormulaC11H9BrCaO3
Molecular Weight309.17 g/mol
Exact Mass307.94
IUPAC Namecalcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride
SMILESO=C(O)c1cc2ccccc2c(Br)c1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C11H7BrO3.Ca.2H/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15;;;/h1-5,13H,(H,14,15);;;/q;+2;2*-1
InChIKeyDXWVNKGJSNZSRG-UHFFFAOYSA-N
XLogP2.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 178068775
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-hydroxybenzoic acid
CID 68631677
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681

Frequently Asked Questions

What is the IUPAC name of calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride?
The IUPAC name of calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride (CID 173370957) is calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride.
What is the SMILES notation for calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride?
The canonical SMILES for calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride is O=C(O)c1cc2ccccc2c(Br)c1O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride?
The InChIKey is DXWVNKGJSNZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO3.Ca.2H/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15;;;/h1-5,13H,(H,14,15);;;/q;+2;2*-1.
What are the key properties of calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride?
calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride has a molecular weight of 309.17 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;4-bromo-3-hydroxynaphthalene-2-carboxylic acid;hydride is sourced from PubChem (CID 173370957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).