3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile

C12H6ClFIN3 — CID 114260120

IUPAC3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cccc(F)c2I)c1Cl
InChIInChI=1S/C12H6ClFIN3/c13-10-7(6-16)4-5-17-12(10)18-9-3-1-2-8(14)11(9)15/h1-5H,(H,17,18)
InChIKeyRXDJVPFELGSTQB-UHFFFAOYSA-N
MW373.56 g/mol
LogP4.09
Rot. Bonds2

About 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile

3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile (PubChem CID 114260120) has the molecular formula C12H6ClFIN3 and a molecular weight of 373.56 g/mol. Its IUPAC name is 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
PubChem CID114260120
Molecular FormulaC12H6ClFIN3
Molecular Weight373.56 g/mol
Exact Mass372.93
IUPAC Name3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2cccc(F)c2I)c1Cl
InChIInChI=1S/C12H6ClFIN3/c13-10-7(6-16)4-5-17-12(10)18-9-3-1-2-8(14)11(9)15/h1-5H,(H,17,18)
InChIKeyRXDJVPFELGSTQB-UHFFFAOYSA-N
XLogP4.09
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
CID 107056883
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
2-(2-bromo-4-methylanilino)-3-chloropyridine-4-carbonitrile
CID 107056680
3-chloro-4-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056434
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
CID 107056671
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile (CID 114260120) is 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2cccc(F)c2I)c1Cl.
What is the InChIKey of 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
The InChIKey is RXDJVPFELGSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFIN3/c13-10-7(6-16)4-5-17-12(10)18-9-3-1-2-8(14)11(9)15/h1-5H,(H,17,18).
What are the key properties of 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile?
3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile has a molecular weight of 373.56 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 114260120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).