3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile

C8H6F2IN3 — CID 130077293

IUPAC3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
SMILESN#Cc1c(I)cnc(C(F)F)c1CN
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-5(2-13)4(1-12)6(11)3-14-7/h3,8H,2,13H2
InChIKeyQHJLZWRNZRNQJZ-UHFFFAOYSA-N
MW309.06 g/mol
LogP1.95
Rot. Bonds2

About 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile

3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile (PubChem CID 130077293) has the molecular formula C8H6F2IN3 and a molecular weight of 309.06 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
PubChem CID130077293
Molecular FormulaC8H6F2IN3
Molecular Weight309.06 g/mol
Exact Mass308.96
IUPAC Name3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
SMILESN#Cc1c(I)cnc(C(F)F)c1CN
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-5(2-13)4(1-12)6(11)3-14-7/h3,8H,2,13H2
InChIKeyQHJLZWRNZRNQJZ-UHFFFAOYSA-N
XLogP1.95
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.06
LogP ≤ 51.95
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-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile?
The IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile (CID 130077293) is 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile is N#Cc1c(I)cnc(C(F)F)c1CN.
What is the InChIKey of 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile?
The InChIKey is QHJLZWRNZRNQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2IN3/c9-8(10)7-5(2-13)4(1-12)6(11)3-14-7/h3,8H,2,13H2.
What are the key properties of 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile?
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile has a molecular weight of 309.06 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile is sourced from PubChem (CID 130077293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).