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

C8H9F2IN2 — CID 118852482

IUPAC[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
SMILESCc1nc(C(F)F)cc(CN)c1I
InChIInChI=1S/C8H9F2IN2/c1-4-7(11)5(3-12)2-6(13-4)8(9)10/h2,8H,3,12H2,1H3
InChIKeyPAIHOBJGVXAVHE-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.39
Rot. Bonds2

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

[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine (PubChem CID 118852482) has the molecular formula C8H9F2IN2 and a molecular weight of 298.07 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
PubChem CID118852482
Molecular FormulaC8H9F2IN2
Molecular Weight298.07 g/mol
Exact Mass297.98
IUPAC Name[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
SMILESCc1nc(C(F)F)cc(CN)c1I
InChIInChI=1S/C8H9F2IN2/c1-4-7(11)5(3-12)2-6(13-4)8(9)10/h2,8H,3,12H2,1H3
InChIKeyPAIHOBJGVXAVHE-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 52.39
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-2-methyl-4-pyridinyl]methanamine
CID 118834888
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
6-(difluoromethyl)-3-iodo-2-methylpyridine-4-sulfonamide
CID 130086431
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
CID 130112855
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine (CID 118852482) is [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine is Cc1nc(C(F)F)cc(CN)c1I.
What is the InChIKey of [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine?
The InChIKey is PAIHOBJGVXAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2/c1-4-7(11)5(3-12)2-6(13-4)8(9)10/h2,8H,3,12H2,1H3.
What are the key properties of [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine?
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine has a molecular weight of 298.07 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 118852482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).