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

C7H6F3IN2 — CID 130079991

IUPAC[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
SMILESNCc1c(I)cc(C(F)F)nc1F
InChIInChI=1S/C7H6F3IN2/c8-6(9)5-1-4(11)3(2-12)7(10)13-5/h1,6H,2,12H2
InChIKeyVJGGEMPITLANNY-UHFFFAOYSA-N
MW302.04 g/mol
LogP2.22
Rot. Bonds2

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

[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine (PubChem CID 130079991) has the molecular formula C7H6F3IN2 and a molecular weight of 302.04 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
PubChem CID130079991
Molecular FormulaC7H6F3IN2
Molecular Weight302.04 g/mol
Exact Mass301.95
IUPAC Name[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
SMILESNCc1c(I)cc(C(F)F)nc1F
InChIInChI=1S/C7H6F3IN2/c8-6(9)5-1-4(11)3(2-12)7(10)13-5/h1,6H,2,12H2
InChIKeyVJGGEMPITLANNY-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
CID 133105815
3-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119000355
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
3-chloro-6-(difluoromethyl)-4-iodopyridin-2-amine
CID 118996077
[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine (CID 130079991) is [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine is NCc1c(I)cc(C(F)F)nc1F.
What is the InChIKey of [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine?
The InChIKey is VJGGEMPITLANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2/c8-6(9)5-1-4(11)3(2-12)7(10)13-5/h1,6H,2,12H2.
What are the key properties of [6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine?
[6-(difluoromethyl)-2-fluoro-4-iodo-3-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)-2-fluoro-4-iodo-3-pyridinyl]methanamine is sourced from PubChem (CID 130079991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).