4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile

C8H6F2IN3 — CID 130077308

IUPAC4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(CN)c(I)c(C(F)F)n1
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-6(11)4(2-12)1-5(3-13)14-7/h1,8H,2,12H2
InChIKeyHICIWDGCOZTLHP-UHFFFAOYSA-N
MW309.06 g/mol
LogP1.95
Rot. Bonds2

About 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile

4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile (PubChem CID 130077308) has the molecular formula C8H6F2IN3 and a molecular weight of 309.06 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
PubChem CID130077308
Molecular FormulaC8H6F2IN3
Molecular Weight309.06 g/mol
Exact Mass308.96
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(CN)c(I)c(C(F)F)n1
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-6(11)4(2-12)1-5(3-13)14-7/h1,8H,2,12H2
InChIKeyHICIWDGCOZTLHP-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

6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile (CID 130077308) is 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile is N#Cc1cc(CN)c(I)c(C(F)F)n1.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The InChIKey is HICIWDGCOZTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2IN3/c9-8(10)7-6(11)4(2-12)1-5(3-13)14-7/h1,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-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 4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130077308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).