[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine

C7H6F3IN2 — CID 118820195

IUPAC[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)cc(I)c1F
InChIInChI=1S/C7H6F3IN2/c8-6-3(11)1-4(7(9)10)13-5(6)2-12/h1,7H,2,12H2
InChIKeyVZJFBKJDDXNVGZ-UHFFFAOYSA-N
MW302.04 g/mol
LogP2.22
Rot. Bonds2

About [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine

[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine (PubChem CID 118820195) has the molecular formula C7H6F3IN2 and a molecular weight of 302.04 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
PubChem CID118820195
Molecular FormulaC7H6F3IN2
Molecular Weight302.04 g/mol
Exact Mass301.95
IUPAC Name[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)cc(I)c1F
InChIInChI=1S/C7H6F3IN2/c8-6-3(11)1-4(7(9)10)13-5(6)2-12/h1,7H,2,12H2
InChIKeyVZJFBKJDDXNVGZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(difluoromethyl)-3-fluoro-4-methyl-2-pyridinyl]methanamine
CID 118848345
[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
CID 130079991
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
CID 118814262
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine (CID 118820195) is [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine is NCc1nc(C(F)F)cc(I)c1F.
What is the InChIKey of [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine?
The InChIKey is VZJFBKJDDXNVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2/c8-6-3(11)1-4(7(9)10)13-5(6)2-12/h1,7H,2,12H2.
What are the key properties of [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine?
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine has a molecular weight of 302.04 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine is sourced from PubChem (CID 118820195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).