[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine

C7H6F3IN2 — CID 118801498

IUPAC[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
SMILESNCc1c(I)cnc(C(F)F)c1F
InChIInChI=1S/C7H6F3IN2/c8-5-3(1-12)4(11)2-13-6(5)7(9)10/h2,7H,1,12H2
InChIKeyPZPIQZKACHGFAL-UHFFFAOYSA-N
MW302.04 g/mol
LogP2.22
Rot. Bonds2

About [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine

[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine (PubChem CID 118801498) has the molecular formula C7H6F3IN2 and a molecular weight of 302.04 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
PubChem CID118801498
Molecular FormulaC7H6F3IN2
Molecular Weight302.04 g/mol
Exact Mass301.95
IUPAC Name[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
SMILESNCc1c(I)cnc(C(F)F)c1F
InChIInChI=1S/C7H6F3IN2/c8-5-3(1-12)4(11)2-13-6(5)7(9)10/h2,7H,1,12H2
InChIKeyPZPIQZKACHGFAL-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

4-(aminomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-amine
CID 130103996
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-amine
CID 130103853
ethyl 2-[3-(aminomethyl)-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 133101275
2-(difluoromethyl)-3-fluoro-5-iodopyridine-4-carboxylic acid
CID 118837172
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
methyl 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylate
CID 133100847
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-ol
CID 118820579
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine (CID 118801498) is [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine is NCc1c(I)cnc(C(F)F)c1F.
What is the InChIKey of [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine?
The InChIKey is PZPIQZKACHGFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2/c8-5-3(1-12)4(11)2-13-6(5)7(9)10/h2,7H,1,12H2.
What are the key properties of [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-fluoro-5-iodo-4-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 [2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine is sourced from PubChem (CID 118801498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).