4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine

C6H3F4IN2O — CID 130971510

IUPAC4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1c(I)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C6H3F4IN2O/c7-3-2(14-6(8,9)10)1-13-5(11)4(3)12/h1H,12H2
InChIKeyCIRQEYCMTSYQNU-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.31
Rot. Bonds1

About 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine

4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine (PubChem CID 130971510) has the molecular formula C6H3F4IN2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
PubChem CID130971510
Molecular FormulaC6H3F4IN2O
Molecular Weight322.00 g/mol
Exact Mass321.92
IUPAC Name4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1c(I)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C6H3F4IN2O/c7-3-2(14-6(8,9)10)1-13-5(11)4(3)12/h1H,12H2
InChIKeyCIRQEYCMTSYQNU-UHFFFAOYSA-N
XLogP2.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
3-bromo-4-fluoro-2-methyl-5-(trifluoromethoxy)pyridine
CID 131214212
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
5-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 118999866
2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812154
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
3-(bromomethyl)-2-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134667272
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine (CID 130971510) is 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine is Nc1c(I)ncc(OC(F)(F)F)c1F.
What is the InChIKey of 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is CIRQEYCMTSYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4IN2O/c7-3-2(14-6(8,9)10)1-13-5(11)4(3)12/h1H,12H2.
What are the key properties of 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 322.00 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 130971510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).