2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile

C12H8ClNO — CID 146609509

IUPAC2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile
SMILESN#CCc1cccc2cc(Cl)c(O)cc12
InChIInChI=1S/C12H8ClNO/c13-11-6-9-3-1-2-8(4-5-14)10(9)7-12(11)15/h1-3,6-7,15H,4H2
InChIKeyWRAWWKHCKJPOPY-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.26
Rot. Bonds1

About 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile

2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile (PubChem CID 146609509) has the molecular formula C12H8ClNO and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile
PubChem CID146609509
Molecular FormulaC12H8ClNO
Molecular Weight217.65 g/mol
Exact Mass217.03
IUPAC Name2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile
SMILESN#CCc1cccc2cc(Cl)c(O)cc12
InChIInChI=1S/C12H8ClNO/c13-11-6-9-3-1-2-8(4-5-14)10(9)7-12(11)15/h1-3,6-7,15H,4H2
InChIKeyWRAWWKHCKJPOPY-UHFFFAOYSA-N
XLogP3.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
6,7-dichloronaphthalen-1-ol
CID 82254274
2-(2-chloro-3-hydroxy-1-benzothiophen-7-yl)acetonitrile
CID 130884251
2-(2-chloro-3-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131218580
2-[7-[(4-methoxyphenyl)methyl]naphthalen-1-yl]acetonitrile
CID 154278635
2-[3-chloro-2-(2,3,6-trichlorophenyl)phenyl]acetonitrile
CID 134630550
2-(7-chloro-1H-indol-3-yl)acetonitrile
CID 10559597
[2-(cyanomethyl)-6-ethylphenyl] acetate
CID 150549275
2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 118836007
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
2-(2-chlorobenzo[c]phenanthren-5-yl)acetonitrile
CID 11483469
3-(cyanomethyl)-2-methylbenzoic acid
CID 66621142

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile?
The IUPAC name of 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile (CID 146609509) is 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile?
The canonical SMILES for 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile is N#CCc1cccc2cc(Cl)c(O)cc12.
What is the InChIKey of 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile?
The InChIKey is WRAWWKHCKJPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-11-6-9-3-1-2-8(4-5-14)10(9)7-12(11)15/h1-3,6-7,15H,4H2.
What are the key properties of 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile?
2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile has a molecular weight of 217.65 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-hydroxynaphthalen-1-yl)acetonitrile is sourced from PubChem (CID 146609509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).