3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol

C9H12F2N2O2 — CID 133423941

IUPAC3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(OC(F)F)cn1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)15-7-2-3-8(13-6-7)12-4-1-5-14/h2-3,6,9,14H,1,4-5H2,(H,12,13)
InChIKeyRLAOMKAFKVYZLM-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.48
Rot. Bonds6

About 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol

3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol (PubChem CID 133423941) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
PubChem CID133423941
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
SMILESOCCCNc1ccc(OC(F)F)cn1
InChIInChI=1S/C9H12F2N2O2/c10-9(11)15-7-2-3-8(13-6-7)12-4-1-5-14/h2-3,6,9,14H,1,4-5H2,(H,12,13)
InChIKeyRLAOMKAFKVYZLM-UHFFFAOYSA-N
XLogP1.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
4-[[5-(difluoromethoxy)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122094152
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
1-(cyclopropylmethoxy)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-2-ol
CID 109391103
5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
CID 84593683
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
2-[(5-propan-2-yl-2-pyridinyl)amino]ethanol
CID 134516865
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
5-(difluoromethoxy)-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 136588722
N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide
CID 166284103

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol (CID 133423941) is 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol is OCCCNc1ccc(OC(F)F)cn1.
What is the InChIKey of 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is RLAOMKAFKVYZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-9(11)15-7-2-3-8(13-6-7)12-4-1-5-14/h2-3,6,9,14H,1,4-5H2,(H,12,13).
What are the key properties of 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol?
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 218.20 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 133423941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).