[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol

C8H9F3N2O — CID 130081622

IUPAC[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
SMILESNCc1nc(F)c(C(F)F)cc1CO
InChIInChI=1S/C8H9F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,2-3,12H2
InChIKeyRXSDDSQLCNKBRY-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.11
Rot. Bonds3

About [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol

[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol (PubChem CID 130081622) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
PubChem CID130081622
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
SMILESNCc1nc(F)c(C(F)F)cc1CO
InChIInChI=1S/C8H9F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,2-3,12H2
InChIKeyRXSDDSQLCNKBRY-UHFFFAOYSA-N
XLogP1.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130081564
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol?
The IUPAC name of [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol (CID 130081622) is [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol is NCc1nc(F)c(C(F)F)cc1CO.
What is the InChIKey of [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol?
The InChIKey is RXSDDSQLCNKBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,2-3,12H2.
What are the key properties of [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol?
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol has a molecular weight of 206.17 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130081622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).