6-chloro-5-ethynylnaphthalen-2-amine

C12H8ClN — CID 176951486

IUPAC6-chloro-5-ethynylnaphthalen-2-amine
SMILESC#Cc1c(Cl)ccc2cc(N)ccc12
InChIInChI=1S/C12H8ClN/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13/h1,3-7H,14H2
InChIKeyWEIABUUQJCZFET-UHFFFAOYSA-N
MW201.66 g/mol
LogP3.06
Rot. Bonds

About 6-chloro-5-ethynylnaphthalen-2-amine

6-chloro-5-ethynylnaphthalen-2-amine (PubChem CID 176951486) has the molecular formula C12H8ClN and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-5-ethynylnaphthalen-2-amine.

Molecular Properties

Compound Name6-chloro-5-ethynylnaphthalen-2-amine
PubChem CID176951486
Molecular FormulaC12H8ClN
Molecular Weight201.66 g/mol
Exact Mass201.03
IUPAC Name6-chloro-5-ethynylnaphthalen-2-amine
SMILESC#Cc1c(Cl)ccc2cc(N)ccc12
InChIInChI=1S/C12H8ClN/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13/h1,3-7H,14H2
InChIKeyWEIABUUQJCZFET-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

hexahelicene-3,14-diamine
CID 102491196
6,7-dichloronaphthalen-2-amine
CID 70123851
4-chloro-3-(trichloromethyl)aniline
CID 827546
1,3-dichloro-2-ethynylbenzene
CID 22271730
3,4-dichloroaniline
CID 7257
4-chloroisoquinolin-7-amine
CID 66642706
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
10-chlorophenanthren-2-amine
CID 4101770
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789
7-chloronaphthalen-2-amine
CID 23423659
bis(4-chlorobenzene-1,3-diamine);hydrate
CID 174419312
benzo[f]isoquinolin-8-amine
CID 101109295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethynylnaphthalen-2-amine?
The IUPAC name of 6-chloro-5-ethynylnaphthalen-2-amine (CID 176951486) is 6-chloro-5-ethynylnaphthalen-2-amine.
What is the SMILES notation for 6-chloro-5-ethynylnaphthalen-2-amine?
The canonical SMILES for 6-chloro-5-ethynylnaphthalen-2-amine is C#Cc1c(Cl)ccc2cc(N)ccc12.
What is the InChIKey of 6-chloro-5-ethynylnaphthalen-2-amine?
The InChIKey is WEIABUUQJCZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13/h1,3-7H,14H2.
What are the key properties of 6-chloro-5-ethynylnaphthalen-2-amine?
6-chloro-5-ethynylnaphthalen-2-amine has a molecular weight of 201.66 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethynylnaphthalen-2-amine is sourced from PubChem (CID 176951486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).