1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol

C14H14FN3O4 — CID 47072410

IUPAC1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESO=[N+]([O-])c1cccnc1NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O4/c15-10-3-5-12(6-4-10)22-9-11(19)8-17-14-13(18(20)21)2-1-7-16-14/h1-7,11,19H,8-9H2,(H,16,17)
InChIKeyDCFPMBGGXJWSDJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP1.98
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 47072410) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID47072410
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESO=[N+]([O-])c1cccnc1NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C14H14FN3O4/c15-10-3-5-12(6-4-10)22-9-11(19)8-17-14-13(18(20)21)2-1-7-16-14/h1-7,11,19H,8-9H2,(H,16,17)
InChIKeyDCFPMBGGXJWSDJ-UHFFFAOYSA-N
XLogP1.98
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenoxy)-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
CID 133272703
1-(2-nitroanilino)-3-phenoxypropan-2-ol
CID 23996910
7-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-6-nitro-3H-quinazolin-4-one
CID 137261840
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
1-(3,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133307479
(2R)-1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 94664973
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
CID 11608792
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol (CID 47072410) is 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol is O=[N+]([O-])c1cccnc1NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is DCFPMBGGXJWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c15-10-3-5-12(6-4-10)22-9-11(19)8-17-14-13(18(20)21)2-1-7-16-14/h1-7,11,19H,8-9H2,(H,16,17).
What are the key properties of 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 307.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 47072410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).