1-fluoro-7-hydroxynaphthalene-2-carboxylic acid

C11H7FO3 — CID 115024408

IUPAC1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(O)cc2c1F
InChIInChI=1S/C11H7FO3/c12-10-8(11(14)15)4-2-6-1-3-7(13)5-9(6)10/h1-5,13H,(H,14,15)
InChIKeyRWDJFGOFRJCMQF-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.38
Rot. Bonds1

About 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid

1-fluoro-7-hydroxynaphthalene-2-carboxylic acid (PubChem CID 115024408) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
PubChem CID115024408
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(O)cc2c1F
InChIInChI=1S/C11H7FO3/c12-10-8(11(14)15)4-2-6-1-3-7(13)5-9(6)10/h1-5,13H,(H,14,15)
InChIKeyRWDJFGOFRJCMQF-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
3,4-difluoronaphthalene-2,6-diol
CID 18457308
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
CID 54715072
CID 54715072
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
2-[10-(2-carboxy-5-hydroxyphenyl)decyl]-4-hydroxybenzoic acid
CID 70479873
4-(4-fluorophenyl)-2-[(E)-3-(7-hydroxynaphthalen-1-yl)prop-1-enyl]benzoic acid
CID 67335312
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
3-chloro-2-fluoro-4-hydroxybenzoic acid
CID 11735652

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid (CID 115024408) is 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccc(O)cc2c1F.
What is the InChIKey of 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is RWDJFGOFRJCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c12-10-8(11(14)15)4-2-6-1-3-7(13)5-9(6)10/h1-5,13H,(H,14,15).
What are the key properties of 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid?
1-fluoro-7-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 206.17 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 115024408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).