1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol

C9H13FN2O — CID 62338374

IUPAC1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cccc(F)n1
InChIInChI=1S/C9H13FN2O/c1-7(13)6-12(2)9-5-3-4-8(10)11-9/h3-5,7,13H,6H2,1-2H3
InChIKeySHGUAQRJXAHVHQ-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.04
Rot. Bonds3

About 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol

1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 62338374) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID62338374
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cccc(F)n1
InChIInChI=1S/C9H13FN2O/c1-7(13)6-12(2)9-5-3-4-8(10)11-9/h3-5,7,13H,6H2,1-2H3
InChIKeySHGUAQRJXAHVHQ-UHFFFAOYSA-N
XLogP1.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 61227436
1-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 62333913
2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
CID 61229567
1-[[6-(ethylamino)-2-pyridinyl]-methylamino]propan-2-ol
CID 80827221
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79386016
6-fluoro-N-methyl-N-pentylpyridin-2-amine
CID 61230318
6-fluoro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61230139
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
N-ethyl-6-fluoro-N-(2-methylbutyl)pyridin-2-amine
CID 79470870
N-[3-[(6-fluoro-2-pyridinyl)-methylamino]propyl]acetamide
CID 133303964
1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
CID 80652394
6-fluoro-N-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 130899396

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol (CID 62338374) is 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol is CC(O)CN(C)c1cccc(F)n1.
What is the InChIKey of 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is SHGUAQRJXAHVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(13)6-12(2)9-5-3-4-8(10)11-9/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 62338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).