3-chloro-4-iodo-3H-pyridin-2-imine

C5H4ClIN2 — CID 146674659

IUPAC3-chloro-4-iodo-3H-pyridin-2-imine
SMILES[H]/N=C1\N=CC=C(I)C1Cl
InChIInChI=1S/C5H4ClIN2/c6-4-3(7)1-2-9-5(4)8/h1-2,4,8H/b8-5-
InChIKeyMQSRQEGRJWQNEO-YVMONPNESA-N
MW254.46 g/mol
LogP1.97
Rot. Bonds

About 3-chloro-4-iodo-3H-pyridin-2-imine

3-chloro-4-iodo-3H-pyridin-2-imine (PubChem CID 146674659) has the molecular formula C5H4ClIN2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-chloro-4-iodo-3H-pyridin-2-imine.

Molecular Properties

Compound Name3-chloro-4-iodo-3H-pyridin-2-imine
PubChem CID146674659
Molecular FormulaC5H4ClIN2
Molecular Weight254.46 g/mol
Exact Mass253.91
IUPAC Name3-chloro-4-iodo-3H-pyridin-2-imine
SMILES[H]/N=C1\N=CC=C(I)C1Cl
InChIInChI=1S/C5H4ClIN2/c6-4-3(7)1-2-9-5(4)8/h1-2,4,8H/b8-5-
InChIKeyMQSRQEGRJWQNEO-YVMONPNESA-N
XLogP1.97
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 3-chloro-4-iodo-3H-pyridin-2-imine?
The IUPAC name of 3-chloro-4-iodo-3H-pyridin-2-imine (CID 146674659) is 3-chloro-4-iodo-3H-pyridin-2-imine.
What is the SMILES notation for 3-chloro-4-iodo-3H-pyridin-2-imine?
The canonical SMILES for 3-chloro-4-iodo-3H-pyridin-2-imine is [H]/N=C1\N=CC=C(I)C1Cl.
What is the InChIKey of 3-chloro-4-iodo-3H-pyridin-2-imine?
The InChIKey is MQSRQEGRJWQNEO-YVMONPNESA-N. The full InChI is InChI=1S/C5H4ClIN2/c6-4-3(7)1-2-9-5(4)8/h1-2,4,8H/b8-5-.
What are the key properties of 3-chloro-4-iodo-3H-pyridin-2-imine?
3-chloro-4-iodo-3H-pyridin-2-imine has a molecular weight of 254.46 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-3H-pyridin-2-imine is sourced from PubChem (CID 146674659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).