(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium

C6H5ClIN2+ — CID 143405627

IUPAC(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium
SMILESC=[NH+]c1cc(I)cnc1Cl
InChIInChI=1S/C6H4ClIN2/c1-9-5-2-4(8)3-10-6(5)7/h2-3H,1H2/p+1
InChIKeyBAQKKILUNUEACE-UHFFFAOYSA-O
MW267.48 g/mol
LogP0.75
Rot. Bonds1

About (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium

(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium (PubChem CID 143405627) has the molecular formula C6H5ClIN2+ and a molecular weight of 267.48 g/mol. Its IUPAC name is (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium.

Molecular Properties

Compound Name(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium
PubChem CID143405627
Molecular FormulaC6H5ClIN2+
Molecular Weight267.48 g/mol
Exact Mass266.92
IUPAC Name(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium
SMILESC=[NH+]c1cc(I)cnc1Cl
InChIInChI=1S/C6H4ClIN2/c1-9-5-2-4(8)3-10-6(5)7/h2-3H,1H2/p+1
InChIKeyBAQKKILUNUEACE-UHFFFAOYSA-O
XLogP0.75
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium?
The IUPAC name of (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium (CID 143405627) is (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium.
What is the SMILES notation for (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium?
The canonical SMILES for (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium is C=[NH+]c1cc(I)cnc1Cl.
What is the InChIKey of (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium?
The InChIKey is BAQKKILUNUEACE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4ClIN2/c1-9-5-2-4(8)3-10-6(5)7/h2-3H,1H2/p+1.
What are the key properties of (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium?
(2-chloro-5-iodo-3-pyridinyl)-methylideneazanium has a molecular weight of 267.48 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-iodo-3-pyridinyl)-methylideneazanium is sourced from PubChem (CID 143405627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).