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

C8H9F2IN2 — CID 130085965

IUPAC[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(I)cc(C(F)F)c1CN
InChIInChI=1S/C8H9F2IN2/c1-4-6(3-12)5(8(9)10)2-7(11)13-4/h2,8H,3,12H2,1H3
InChIKeyLGAKEWDLVYWQLO-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.39
Rot. Bonds2

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

[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine (PubChem CID 130085965) has the molecular formula C8H9F2IN2 and a molecular weight of 298.07 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
PubChem CID130085965
Molecular FormulaC8H9F2IN2
Molecular Weight298.07 g/mol
Exact Mass297.98
IUPAC Name[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
SMILESCc1nc(I)cc(C(F)F)c1CN
InChIInChI=1S/C8H9F2IN2/c1-4-6(3-12)5(8(9)10)2-7(11)13-4/h2,8H,3,12H2,1H3
InChIKeyLGAKEWDLVYWQLO-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'}

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Related Compounds

[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118848266
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
CID 133101387
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine (CID 130085965) is [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine is Cc1nc(I)cc(C(F)F)c1CN.
What is the InChIKey of [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine?
The InChIKey is LGAKEWDLVYWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2/c1-4-6(3-12)5(8(9)10)2-7(11)13-4/h2,8H,3,12H2,1H3.
What are the key properties of [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine?
[4-(difluoromethyl)-6-iodo-2-methyl-3-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 [4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 130085965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).