7-chloro-3,6-dihydroxynaphthalene-2-carboxamide

C11H8ClNO3 — CID 121473408

IUPAC7-chloro-3,6-dihydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)c(O)cc2cc1O
InChIInChI=1S/C11H8ClNO3/c12-8-2-5-1-7(11(13)16)9(14)3-6(5)4-10(8)15/h1-4,14-15H,(H2,13,16)
InChIKeyRPRTWUHYYFVWBR-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.00
Rot. Bonds1

About 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide

7-chloro-3,6-dihydroxynaphthalene-2-carboxamide (PubChem CID 121473408) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3,6-dihydroxynaphthalene-2-carboxamide
PubChem CID121473408
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name7-chloro-3,6-dihydroxynaphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)c(O)cc2cc1O
InChIInChI=1S/C11H8ClNO3/c12-8-2-5-1-7(11(13)16)9(14)3-6(5)4-10(8)15/h1-4,14-15H,(H2,13,16)
InChIKeyRPRTWUHYYFVWBR-UHFFFAOYSA-N
XLogP2.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxynaphthalene-2-carboxamide
CID 19317
2-chloro-7-hydroxyquinoline-6-carboxamide
CID 151025538
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
2-chloro-5-hydroxybenzamide
CID 57422942
6-chloro-2-benzofuran-5-ol
CID 135240566
3-chloro-4-hydroxybenzamide
CID 22932347
4,5-bis(ethenyl)-2-hydroxybenzamide
CID 143128209
3-chloro-2,5-dimethylbenzamide
CID 171008035
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
2-chloro-4,5-dimethylphenol;methyl carbamate
CID 23617210
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide (CID 121473408) is 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide is NC(=O)c1cc2cc(Cl)c(O)cc2cc1O.
What is the InChIKey of 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide?
The InChIKey is RPRTWUHYYFVWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-8-2-5-1-7(11(13)16)9(14)3-6(5)4-10(8)15/h1-4,14-15H,(H2,13,16).
What are the key properties of 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide?
7-chloro-3,6-dihydroxynaphthalene-2-carboxamide has a molecular weight of 237.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,6-dihydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 121473408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).