2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile

C9H8F2IN3 — CID 118842695

IUPAC2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)nc(CN)c1I
InChIInChI=1S/C9H8F2IN3/c10-9(11)6-3-5(1-2-13)8(12)7(4-14)15-6/h3,9H,1,4,14H2
InChIKeySSCBLNWWBRCSSA-UHFFFAOYSA-N
MW323.08 g/mol
LogP2.15
Rot. Bonds3

About 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile

2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile (PubChem CID 118842695) has the molecular formula C9H8F2IN3 and a molecular weight of 323.08 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
PubChem CID118842695
Molecular FormulaC9H8F2IN3
Molecular Weight323.08 g/mol
Exact Mass322.97
IUPAC Name2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)nc(CN)c1I
InChIInChI=1S/C9H8F2IN3/c10-9(11)6-3-5(1-2-13)8(12)7(4-14)15-6/h3,9H,1,4,14H2
InChIKeySSCBLNWWBRCSSA-UHFFFAOYSA-N
XLogP2.15
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.08
LogP ≤ 52.15
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

2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 118991220
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile (CID 118842695) is 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)nc(CN)c1I.
What is the InChIKey of 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile?
The InChIKey is SSCBLNWWBRCSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2IN3/c10-9(11)6-3-5(1-2-13)8(12)7(4-14)15-6/h3,9H,1,4,14H2.
What are the key properties of 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile?
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile has a molecular weight of 323.08 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).