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

C9H12F2N2O2 — CID 106171996

IUPAC2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
SMILESCOc1cccnc1NCC(F)(F)CO
InChIInChI=1S/C9H12F2N2O2/c1-15-7-3-2-4-12-8(7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyKRZANAQEAFTRRY-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.13
Rot. Bonds5

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

2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol (PubChem CID 106171996) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
PubChem CID106171996
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
SMILESCOc1cccnc1NCC(F)(F)CO
InChIInChI=1S/C9H12F2N2O2/c1-15-7-3-2-4-12-8(7)13-5-9(10,11)6-14/h2-4,14H,5-6H2,1H3,(H,12,13)
InChIKeyKRZANAQEAFTRRY-UHFFFAOYSA-N
XLogP1.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[(3-methylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 106545025
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 125145322
3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214712
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol (CID 106171996) is 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol is COc1cccnc1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol?
The InChIKey is KRZANAQEAFTRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-15-7-3-2-4-12-8(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-[(3-methoxy-2-pyridinyl)amino]propan-1-ol?
2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol has a molecular weight of 218.20 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 106171996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).