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

C8H9F2IN2 — CID 130085953

IUPAC[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)nc(I)c1C(F)F
InChIInChI=1S/C8H9F2IN2/c1-4-2-5(3-12)13-8(11)6(4)7(9)10/h2,7H,3,12H2,1H3
InChIKeyODZLQJYMHGASBW-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.39
Rot. Bonds2

About [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine

[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine (PubChem CID 130085953) has the molecular formula C8H9F2IN2 and a molecular weight of 298.07 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
PubChem CID130085953
Molecular FormulaC8H9F2IN2
Molecular Weight298.07 g/mol
Exact Mass297.98
IUPAC Name[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
SMILESCc1cc(CN)nc(I)c1C(F)F
InChIInChI=1S/C8H9F2IN2/c1-4-2-5(3-12)13-8(11)6(4)7(9)10/h2,7H,3,12H2,1H3
InChIKeyODZLQJYMHGASBW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
CID 130073082
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086190
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine (CID 130085953) is [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine is Cc1cc(CN)nc(I)c1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine?
The InChIKey is ODZLQJYMHGASBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2/c1-4-2-5(3-12)13-8(11)6(4)7(9)10/h2,7H,3,12H2,1H3.
What are the key properties of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine?
[5-(difluoromethyl)-6-iodo-4-methyl-2-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 [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 130085953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).