2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine

C10H6Cl3I2N3 — CID 159828457

IUPAC2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine
SMILESClc1cc(I)cnc1Cl.Nc1cc(I)cnc1Cl
InChIInChI=1S/C5H2Cl2IN.C5H4ClIN2/c6-4-1-3(8)2-9-5(4)7;6-5-4(8)1-3(7)2-9-5/h1-2H;1-2H,8H2
InChIKeyNNDNTAARYCPFMC-UHFFFAOYSA-N
MW528.35 g/mol
LogP4.91
Rot. Bonds

About 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine

2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine (PubChem CID 159828457) has the molecular formula C10H6Cl3I2N3 and a molecular weight of 528.35 g/mol. Its IUPAC name is 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine
PubChem CID159828457
Molecular FormulaC10H6Cl3I2N3
Molecular Weight528.35 g/mol
Exact Mass526.77
IUPAC Name2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine
SMILESClc1cc(I)cnc1Cl.Nc1cc(I)cnc1Cl
InChIInChI=1S/C5H2Cl2IN.C5H4ClIN2/c6-4-1-3(8)2-9-5(4)7;6-5-4(8)1-3(7)2-9-5/h1-2H;1-2H,8H2
InChIKeyNNDNTAARYCPFMC-UHFFFAOYSA-N
XLogP4.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,5-dichloropyridin-3-amine
CID 2799999
3-chloro-5-iodobenzene-1,2-diamine
CID 91678168
2-chloro-5-ethenylpyridin-3-amine
CID 74891699
CID 162106307
CID 162106307
2-(bromomethyl)-3-chloro-5-iodopyridine
CID 133061012
(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium
CID 143405627
2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130094620
3-chloro-5-iodopyridine-2-carbonitrile
CID 133059354
2-(bromomethyl)-5-iodopyridin-3-amine
CID 133057818
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944
5-benzyl-2-chloropyridin-3-amine
CID 115031060
2-chloro-5-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 119006573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine?
The IUPAC name of 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine (CID 159828457) is 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine.
What is the SMILES notation for 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine?
The canonical SMILES for 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine is Clc1cc(I)cnc1Cl.Nc1cc(I)cnc1Cl.
What is the InChIKey of 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine?
The InChIKey is NNDNTAARYCPFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2IN.C5H4ClIN2/c6-4-1-3(8)2-9-5(4)7;6-5-4(8)1-3(7)2-9-5/h1-2H;1-2H,8H2.
What are the key properties of 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine?
2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine has a molecular weight of 528.35 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine is sourced from PubChem (CID 159828457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).