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

C9H7F3IN3O — CID 134666816

IUPAC2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(I)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3IN3O/c10-9(11,12)17-8-6(1-2-14)7(13)3-5(4-15)16-8/h3H,1,4,15H2
InChIKeyVWBRFDHTYSMVMW-UHFFFAOYSA-N
MW357.07 g/mol
LogP2.11
Rot. Bonds3

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

2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 134666816) has the molecular formula C9H7F3IN3O and a molecular weight of 357.07 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID134666816
Molecular FormulaC9H7F3IN3O
Molecular Weight357.07 g/mol
Exact Mass356.96
IUPAC Name2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(I)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3IN3O/c10-9(11,12)17-8-6(1-2-14)7(13)3-5(4-15)16-8/h3H,1,4,15H2
InChIKeyVWBRFDHTYSMVMW-UHFFFAOYSA-N
XLogP2.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.07
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134672895
2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
4-amino-5-(cyanomethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118833213
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
2-[5-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134663062
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 134666816) is 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1c(I)cc(CN)nc1OC(F)(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is VWBRFDHTYSMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3IN3O/c10-9(11,12)17-8-6(1-2-14)7(13)3-5(4-15)16-8/h3H,1,4,15H2.
What are the key properties of 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 357.07 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).