N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline

C12H10IN3 — CID 88917763

IUPACN-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
SMILES[H]/N=C/c1cc(-c2cccnc2)ccc1NI
InChIInChI=1S/C12H10IN3/c13-16-12-4-3-9(6-11(12)7-14)10-2-1-5-15-8-10/h1-8,14,16H/b14-7+
InChIKeyVBRABKBUBSDKCB-VGOFMYFVSA-N
MW323.14 g/mol
LogP3.51
Rot. Bonds3

About N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline

N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline (PubChem CID 88917763) has the molecular formula C12H10IN3 and a molecular weight of 323.14 g/mol. Its IUPAC name is N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline.

Molecular Properties

Compound NameN-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
PubChem CID88917763
Molecular FormulaC12H10IN3
Molecular Weight323.14 g/mol
Exact Mass322.99
IUPAC NameN-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
SMILES[H]/N=C/c1cc(-c2cccnc2)ccc1NI
InChIInChI=1S/C12H10IN3/c13-16-12-4-3-9(6-11(12)7-14)10-2-1-5-15-8-10/h1-8,14,16H/b14-7+
InChIKeyVBRABKBUBSDKCB-VGOFMYFVSA-N
XLogP3.51
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-pyridin-3-ylphenyl)methanimine
CID 90222004
6-[3-methanimidoyl-4-(methylamino)phenyl]-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 144500620
(2-methyl-5-pyridin-3-ylphenyl)hydrazine
CID 54381341
3-azulen-6-ylpyridine
CID 86232079
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
cyclopenta[c]azepine
CID 638010
N-[2-(aminomethyl)-4-pyridin-3-ylphenyl]thiohydroxylamine
CID 143888705
(2Z)-4-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]penta-2,4-dien-1-imine
CID 135199736
3-(4-iodo-3-methylphenyl)pyridine
CID 46315924
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
1-[4-[2-(methylamino)-4-pyridin-3-ylbenzenecarboximidoyl]phenyl]ethenol
CID 144572461

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline?
The IUPAC name of N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline (CID 88917763) is N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline.
What is the SMILES notation for N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline?
The canonical SMILES for N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline is [H]/N=C/c1cc(-c2cccnc2)ccc1NI.
What is the InChIKey of N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline?
The InChIKey is VBRABKBUBSDKCB-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10IN3/c13-16-12-4-3-9(6-11(12)7-14)10-2-1-5-15-8-10/h1-8,14,16H/b14-7+.
What are the key properties of N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline?
N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline has a molecular weight of 323.14 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline is sourced from PubChem (CID 88917763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).