3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol

C9H13FN2O2 — CID 66169557

IUPAC3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1cccc(F)n1
InChIInChI=1S/C9H13FN2O2/c1-9(14,6-13)5-11-8-4-2-3-7(10)12-8/h2-4,13-14H,5-6H2,1H3,(H,11,12)
InChIKeyJVJOJAQRLAOEKY-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.38
Rot. Bonds4

About 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol

3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol (PubChem CID 66169557) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
PubChem CID66169557
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1cccc(F)n1
InChIInChI=1S/C9H13FN2O2/c1-9(14,6-13)5-11-8-4-2-3-7(10)12-8/h2-4,13-14H,5-6H2,1H3,(H,11,12)
InChIKeyJVJOJAQRLAOEKY-UHFFFAOYSA-N
XLogP0.38
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
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-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
2-methyl-1-[[6-(methylamino)-2-pyridinyl]amino]butan-2-ol
CID 80842101
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
3-[(6-bromo-2-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 115361912
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219
N-(2-ethylbutyl)-6-fluoropyridin-2-amine
CID 75355438
3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170948

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol (CID 66169557) is 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is JVJOJAQRLAOEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-9(14,6-13)5-11-8-4-2-3-7(10)12-8/h2-4,13-14H,5-6H2,1H3,(H,11,12).
What are the key properties of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 200.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).