2-chloropyridin-4-amine;2-ethoxyethanol

C9H15ClN2O2 — CID 174976319

IUPAC2-chloropyridin-4-amine;2-ethoxyethanol
SMILESCCOCCO.Nc1ccnc(Cl)c1
InChIInChI=1S/C5H5ClN2.C4H10O2/c6-5-3-4(7)1-2-8-5;1-2-6-4-3-5/h1-3H,(H2,7,8);5H,2-4H2,1H3
InChIKeyMWBOCDGLLFDGEK-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.33
Rot. Bonds3

About 2-chloropyridin-4-amine;2-ethoxyethanol

2-chloropyridin-4-amine;2-ethoxyethanol (PubChem CID 174976319) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-chloropyridin-4-amine;2-ethoxyethanol.

Molecular Properties

Compound Name2-chloropyridin-4-amine;2-ethoxyethanol
PubChem CID174976319
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-chloropyridin-4-amine;2-ethoxyethanol
SMILESCCOCCO.Nc1ccnc(Cl)c1
InChIInChI=1S/C5H5ClN2.C4H10O2/c6-5-3-4(7)1-2-8-5;1-2-6-4-3-5/h1-3H,(H2,7,8);5H,2-4H2,1H3
InChIKeyMWBOCDGLLFDGEK-UHFFFAOYSA-N
XLogP1.33
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Chloropyridin-4-amine
CID 581853
2-Chloropyridin-4-amine
CID 84432
tert-butyl N-(2-chloropyridin-4-yl)carbamate
CID 21858447
2-chloro-N-ethylpyridin-4-amine
CID 47002920
2-chloro-N-methylpyridin-4-amine
CID 53416995
2-((2-Chloropyridin-4-YL)amino)ethan-1-OL
CID 89246623
2-[(2-Chloro-4-pyridinyl)carbamoyloxy]ethyl-trimethylazanium iodide
CID 44446104
2-Chloro-4-(dimethylamino)pyridine
CID 10986495
2-chloro-N-phenylpyridin-4-amine
CID 11424268
N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)pyridin-4-amine
CID 91971360
3-chloro-N-(3-morpholinopropyl)pyridin-4-amine
CID 79839380
[5-[(2-Chloro-5-fluoro-4-pyridinyl)amino]-2-methoxycyclohexa-2,4-dien-1-ylidene]methanol
CID 86591124

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridin-4-amine;2-ethoxyethanol?
The IUPAC name of 2-chloropyridin-4-amine;2-ethoxyethanol (CID 174976319) is 2-chloropyridin-4-amine;2-ethoxyethanol.
What is the SMILES notation for 2-chloropyridin-4-amine;2-ethoxyethanol?
The canonical SMILES for 2-chloropyridin-4-amine;2-ethoxyethanol is CCOCCO.Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloropyridin-4-amine;2-ethoxyethanol?
The InChIKey is MWBOCDGLLFDGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2.C4H10O2/c6-5-3-4(7)1-2-8-5;1-2-6-4-3-5/h1-3H,(H2,7,8);5H,2-4H2,1H3.
What are the key properties of 2-chloropyridin-4-amine;2-ethoxyethanol?
2-chloropyridin-4-amine;2-ethoxyethanol has a molecular weight of 218.68 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridin-4-amine;2-ethoxyethanol is sourced from PubChem (CID 174976319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).