3,5-dichloro-6-prop-2-ynoxypyridin-2-amine

C8H6Cl2N2O — CID 102760352

IUPAC3,5-dichloro-6-prop-2-ynoxypyridin-2-amine
SMILESC#CCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2O/c1-2-3-13-8-6(10)4-5(9)7(11)12-8/h1,4H,3H2,(H2,11,12)
InChIKeyWTVYYXAQWISXMX-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.98
Rot. Bonds2

About 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine

3,5-dichloro-6-prop-2-ynoxypyridin-2-amine (PubChem CID 102760352) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-prop-2-ynoxypyridin-2-amine
PubChem CID102760352
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Name3,5-dichloro-6-prop-2-ynoxypyridin-2-amine
SMILESC#CCOc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2O/c1-2-3-13-8-6(10)4-5(9)7(11)12-8/h1,4H,3H2,(H2,11,12)
InChIKeyWTVYYXAQWISXMX-UHFFFAOYSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-prop-2-ynoxypyrimidine
CID 79632254
6-but-3-enoxy-3,5-dichloropyridin-2-amine
CID 102760392
4-chloro-6-prop-2-ynoxypyrimidine-2,5-diamine
CID 154881649
3,5-dichloro-6-pent-4-enoxypyridin-2-amine
CID 102761042
2,4-dichloro-5-prop-2-ynoxyaniline;hydrochloride
CID 141437636
3-prop-2-ynoxyquinoxalin-2-amine
CID 102987605
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
CID 102760880
2-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]ethyl 2-chloroacetate
CID 54333779
3,5-dichloro-6-(furan-2-ylmethoxy)pyridin-2-amine
CID 102760408
5-chloro-3-methoxy-2-prop-2-ynoxypyridine
CID 11356063
3,5-dichloro-6-(3-methylbutan-2-yloxy)pyridin-2-amine
CID 102761071
(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
CID 168529155

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine (CID 102760352) is 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine is C#CCOc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine?
The InChIKey is WTVYYXAQWISXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O/c1-2-3-13-8-6(10)4-5(9)7(11)12-8/h1,4H,3H2,(H2,11,12).
What are the key properties of 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine?
3,5-dichloro-6-prop-2-ynoxypyridin-2-amine has a molecular weight of 217.06 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-prop-2-ynoxypyridin-2-amine is sourced from PubChem (CID 102760352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).