3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol

C8H10F2N2O — CID 55272447

IUPAC3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
SMILESNC(CCO)c1c(F)cncc1F
InChIInChI=1S/C8H10F2N2O/c9-5-3-12-4-6(10)8(5)7(11)1-2-13/h3-4,7,13H,1-2,11H2
InChIKeyUPBNMBJHSRKCGS-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol

3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol (PubChem CID 55272447) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
PubChem CID55272447
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
SMILESNC(CCO)c1c(F)cncc1F
InChIInChI=1S/C8H10F2N2O/c9-5-3-12-4-6(10)8(5)7(11)1-2-13/h3-4,7,13H,1-2,11H2
InChIKeyUPBNMBJHSRKCGS-UHFFFAOYSA-N
XLogP0.74
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131334834
2-(1-amino-3-hydroxypropyl)-3,6-difluorophenol
CID 131010821
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
2-(1-amino-3-hydroxypropyl)-3-fluoro-6-methylphenol
CID 84668827

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol (CID 55272447) is 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol is NC(CCO)c1c(F)cncc1F.
What is the InChIKey of 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The InChIKey is UPBNMBJHSRKCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-5-3-12-4-6(10)8(5)7(11)1-2-13/h3-4,7,13H,1-2,11H2.
What are the key properties of 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol has a molecular weight of 188.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 55272447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).