1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol

C12H13FN2O2 — CID 133323859

IUPAC1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNc1cccc(F)n1)c1ccco1
InChIInChI=1S/C12H13FN2O2/c1-12(16,9-4-3-7-17-9)8-14-11-6-2-5-10(13)15-11/h2-7,16H,8H2,1H3,(H,14,15)
InChIKeyCMNKGUDDPGJXFH-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.13
Rot. Bonds4

About 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol

1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol (PubChem CID 133323859) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
PubChem CID133323859
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
SMILESCC(O)(CNc1cccc(F)n1)c1ccco1
InChIInChI=1S/C12H13FN2O2/c1-12(16,9-4-3-7-17-9)8-14-11-6-2-5-10(13)15-11/h2-7,16H,8H2,1H3,(H,14,15)
InChIKeyCMNKGUDDPGJXFH-UHFFFAOYSA-N
XLogP2.13
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66169557
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133323807
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
CID 122054001
6-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyridin-2-amine
CID 115663512
6-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115658515
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol (CID 133323859) is 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol is CC(O)(CNc1cccc(F)n1)c1ccco1.
What is the InChIKey of 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol?
The InChIKey is CMNKGUDDPGJXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(16,9-4-3-7-17-9)8-14-11-6-2-5-10(13)15-11/h2-7,16H,8H2,1H3,(H,14,15).
What are the key properties of 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol?
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol has a molecular weight of 236.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 133323859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).