[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol

C8H9F2IN2O — CID 118824248

IUPAC[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
SMILESNCc1c(I)cnc(CO)c1C(F)F
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(1-12)5(11)2-13-6(7)3-14/h2,8,14H,1,3,12H2
InChIKeyBALLQMGNHVPENK-UHFFFAOYSA-N
MW314.07 g/mol
LogP1.57
Rot. Bonds3

About [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol

[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol (PubChem CID 118824248) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
PubChem CID118824248
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
SMILESNCc1c(I)cnc(CO)c1C(F)F
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(1-12)5(11)2-13-6(7)3-14/h2,8,14H,1,3,12H2
InChIKeyBALLQMGNHVPENK-UHFFFAOYSA-N
XLogP1.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The IUPAC name of [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol (CID 118824248) is [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The canonical SMILES for [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol is NCc1c(I)cnc(CO)c1C(F)F.
What is the InChIKey of [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The InChIKey is BALLQMGNHVPENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c9-8(10)7-4(1-12)5(11)2-13-6(7)3-14/h2,8,14H,1,3,12H2.
What are the key properties of [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol has a molecular weight of 314.07 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 118824248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).