(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol

C14H14FN3O3 — CID 95624699

IUPAC(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O3/c1-9(14(19)10-2-4-11(15)5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9,14,19H,1H3,(H,16,17)/t9-,14+/m0/s1
InChIKeyGMZFXWOEJFDYOJ-LKFCYVNXSA-N
MW291.28 g/mol
LogP2.66
Rot. Bonds5

About (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol

(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 95624699) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID95624699
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESC[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O3/c1-9(14(19)10-2-4-11(15)5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9,14,19H,1H3,(H,16,17)/t9-,14+/m0/s1
InChIKeyGMZFXWOEJFDYOJ-LKFCYVNXSA-N
XLogP2.66
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]ethanone
CID 91651075
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
6-[[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 99828598
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
1-(4-fluorophenyl)-2-(pyrazin-2-ylamino)propan-1-ol
CID 86805519
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol (CID 95624699) is (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol is C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is GMZFXWOEJFDYOJ-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9(14(19)10-2-4-11(15)5-3-10)17-13-7-6-12(8-16-13)18(20)21/h2-9,14,19H,1H3,(H,16,17)/t9-,14+/m0/s1.
What are the key properties of (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol?
(1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 291.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-fluorophenyl)-2-[(5-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 95624699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).