2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol

C9H12F2N2O — CID 104858561

IUPAC2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1ccnc(NCC(F)(F)CO)c1
InChIInChI=1S/C9H12F2N2O/c1-7-2-3-12-8(4-7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyXVAQCUWMNVXOIF-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.43
Rot. Bonds4

About 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol

2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 104858561) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
PubChem CID104858561
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1ccnc(NCC(F)(F)CO)c1
InChIInChI=1S/C9H12F2N2O/c1-7-2-3-12-8(4-7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyXVAQCUWMNVXOIF-UHFFFAOYSA-N
XLogP1.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293621
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504
2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
CID 106172005
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
2,2-difluoro-3-(pyrazin-2-ylamino)propan-1-ol
CID 104858515
2,2-difluoro-3-(pyrimidin-4-ylamino)propan-1-ol
CID 106171831
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
2,2-difluoro-3-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 106179583
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol (CID 104858561) is 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol is Cc1ccnc(NCC(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is XVAQCUWMNVXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-7-2-3-12-8(4-7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol?
2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 104858561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).