4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline

C13H12IN3 — CID 72535739

IUPAC4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1ccc(I)cc1)c1ccncc1
InChIInChI=1S/C13H12IN3/c1-10(11-6-8-15-9-7-11)16-17-13-4-2-12(14)3-5-13/h2-9,17H,1H3
InChIKeyHJFZMWORZMEZKI-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.52
Rot. Bonds3

About 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline

4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline (PubChem CID 72535739) has the molecular formula C13H12IN3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline.

Molecular Properties

Compound Name4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
PubChem CID72535739
Molecular FormulaC13H12IN3
Molecular Weight337.16 g/mol
Exact Mass337.01
IUPAC Name4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1ccc(I)cc1)c1ccncc1
InChIInChI=1S/C13H12IN3/c1-10(11-6-8-15-9-7-11)16-17-13-4-2-12(14)3-5-13/h2-9,17H,1H3
InChIKeyHJFZMWORZMEZKI-UHFFFAOYSA-N
XLogP3.52
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
4-N,6-N-bis(1-pyridin-4-ylethylideneamino)-2-N-[4-[2-(1-pyridin-4-ylethylidene)hydrazinyl]phenyl]pyrimidine-2,4,6-triamine
CID 139976309
3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6295470
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6176920
(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
CID 177387067
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
(NE)-N-(1-pyridin-4-ylethylidene)hydroxylamine
CID 135617987
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline?
The IUPAC name of 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline (CID 72535739) is 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline.
What is the SMILES notation for 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline?
The canonical SMILES for 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline is CC(=NNc1ccc(I)cc1)c1ccncc1.
What is the InChIKey of 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline?
The InChIKey is HJFZMWORZMEZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3/c1-10(11-6-8-15-9-7-11)16-17-13-4-2-12(14)3-5-13/h2-9,17H,1H3.
What are the key properties of 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline?
4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline has a molecular weight of 337.16 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline is sourced from PubChem (CID 72535739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).