2-chloro-7-hydroxynaphthalene-1-carbonitrile

C11H6ClNO — CID 150215593

IUPAC2-chloro-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1c(Cl)ccc2ccc(O)cc12
InChIInChI=1S/C11H6ClNO/c12-11-4-2-7-1-3-8(14)5-9(7)10(11)6-13/h1-5,14H
InChIKeyFSKGXNCUDHRQPW-UHFFFAOYSA-N
MW203.63 g/mol
LogP3.07
Rot. Bonds

About 2-chloro-7-hydroxynaphthalene-1-carbonitrile

2-chloro-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 150215593) has the molecular formula C11H6ClNO and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-chloro-7-hydroxynaphthalene-1-carbonitrile
PubChem CID150215593
Molecular FormulaC11H6ClNO
Molecular Weight203.63 g/mol
Exact Mass203.01
IUPAC Name2-chloro-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1c(Cl)ccc2ccc(O)cc12
InChIInChI=1S/C11H6ClNO/c12-11-4-2-7-1-3-8(14)5-9(7)10(11)6-13/h1-5,14H
InChIKeyFSKGXNCUDHRQPW-UHFFFAOYSA-N
XLogP3.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 2-chloro-7-hydroxynaphthalene-1-carbonitrile (CID 150215593) is 2-chloro-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 2-chloro-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 2-chloro-7-hydroxynaphthalene-1-carbonitrile is N#Cc1c(Cl)ccc2ccc(O)cc12.
What is the InChIKey of 2-chloro-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is FSKGXNCUDHRQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO/c12-11-4-2-7-1-3-8(14)5-9(7)10(11)6-13/h1-5,14H.
What are the key properties of 2-chloro-7-hydroxynaphthalene-1-carbonitrile?
2-chloro-7-hydroxynaphthalene-1-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 150215593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).