[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine

C8H6F5IN2O — CID 134660996

IUPAC[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(OC(F)(F)F)ncc(C(F)F)c1I
InChIInChI=1S/C8H6F5IN2O/c9-6(10)4-2-16-7(17-8(11,12)13)3(1-15)5(4)14/h2,6H,1,15H2
InChIKeyNRVFFSQQSGKLEQ-UHFFFAOYSA-N
MW368.04 g/mol
LogP2.98
Rot. Bonds3

About [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine

[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134660996) has the molecular formula C8H6F5IN2O and a molecular weight of 368.04 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134660996
Molecular FormulaC8H6F5IN2O
Molecular Weight368.04 g/mol
Exact Mass367.94
IUPAC Name[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1c(OC(F)(F)F)ncc(C(F)F)c1I
InChIInChI=1S/C8H6F5IN2O/c9-6(10)4-2-16-7(17-8(11,12)13)3(1-15)5(4)14/h2,6H,1,15H2
InChIKeyNRVFFSQQSGKLEQ-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.04
LogP ≤ 52.98
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

[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667648
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130112860
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134660996) is [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1c(OC(F)(F)F)ncc(C(F)F)c1I.
What is the InChIKey of [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is NRVFFSQQSGKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5IN2O/c9-6(10)4-2-16-7(17-8(11,12)13)3(1-15)5(4)14/h2,6H,1,15H2.
What are the key properties of [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 368.04 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134660996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).