2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine

C21H26ClI2N5 — CID 162231332

IUPAC2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine
SMILESCCc1cc(Cl)ncc1I.CCc1cc(N)ncc1I.CCc1ccnc(N)c1
InChIInChI=1S/C7H7ClIN.C7H9IN2.C7H10N2/c1-2-5-3-7(8)10-4-6(5)9;1-2-5-3-7(9)10-4-6(5)8;1-2-6-3-4-9-7(8)5-6/h3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,9,10);3-5H,2H2,1H3,(H2,8,9)
InChIKeyZVLWTAJOYVWKCK-UHFFFAOYSA-N
MW637.74 g/mol
LogP5.96
Rot. Bonds3

About 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine

2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine (PubChem CID 162231332) has the molecular formula C21H26ClI2N5 and a molecular weight of 637.74 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine
PubChem CID162231332
Molecular FormulaC21H26ClI2N5
Molecular Weight637.74 g/mol
Exact Mass637.00
IUPAC Name2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine
SMILESCCc1cc(Cl)ncc1I.CCc1cc(N)ncc1I.CCc1ccnc(N)c1
InChIInChI=1S/C7H7ClIN.C7H9IN2.C7H10N2/c1-2-5-3-7(8)10-4-6(5)9;1-2-5-3-7(9)10-4-6(5)8;1-2-6-3-4-9-7(8)5-6/h3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,9,10);3-5H,2H2,1H3,(H2,8,9)
InChIKeyZVLWTAJOYVWKCK-UHFFFAOYSA-N
XLogP5.96
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Chlorophenyl)-[3,3'-bipyridine]-6,6'-diamine
CID 118701008
US10253017, Example 23
CID 145866188
US10253017, Example 27
CID 145866190
US10253017, Example 34
CID 145866191
PF-06260933 dihydrochloride
CID 118701007
2-Amino-5-chloro-4-methylpyridine
CID 318186
N-[5-Chloro-3-((E)-2-pyridin-2-yl-vinyl)-pyridin-2-yl]-guanidine
CID 44298510
US10253017, Example 21
CID 145866186
5-(6-Chloro-3-pyridinyl)pyridin-2-amine
CID 129956865
4-Methyl-2-aminopyridine-palladium chloride
CID 132670
5-Chloro-4-methylpyridin-2-amine;3,5-dichloro-4-methylpyridin-2-amine
CID 318185
5-Chloro-3-methylpyridin-2-amine--water (2/1)
CID 16218114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine?
The IUPAC name of 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine (CID 162231332) is 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine.
What is the SMILES notation for 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine?
The canonical SMILES for 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine is CCc1cc(Cl)ncc1I.CCc1cc(N)ncc1I.CCc1ccnc(N)c1.
What is the InChIKey of 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine?
The InChIKey is ZVLWTAJOYVWKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN.C7H9IN2.C7H10N2/c1-2-5-3-7(8)10-4-6(5)9;1-2-5-3-7(9)10-4-6(5)8;1-2-6-3-4-9-7(8)5-6/h3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,9,10);3-5H,2H2,1H3,(H2,8,9).
What are the key properties of 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine?
2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine has a molecular weight of 637.74 g/mol, XLogP of 5.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-iodopyridine;4-ethyl-5-iodopyridin-2-amine;4-ethylpyridin-2-amine is sourced from PubChem (CID 162231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).