1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol

C14H14ClN3O4 — CID 168639978

IUPAC1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol
SMILESO=[N+]([O-])c1cccnc1Oc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C14H14ClN3O4/c15-8-11(19)9-17-10-3-1-4-12(7-10)22-14-13(18(20)21)5-2-6-16-14/h1-7,11,17,19H,8-9H2
InChIKeyFGFJRXZWNIVGOW-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.79
Rot. Bonds7

About 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol

1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol (PubChem CID 168639978) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol
PubChem CID168639978
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol
SMILESO=[N+]([O-])c1cccnc1Oc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C14H14ClN3O4/c15-8-11(19)9-17-10-3-1-4-12(7-10)22-14-13(18(20)21)5-2-6-16-14/h1-7,11,17,19H,8-9H2
InChIKeyFGFJRXZWNIVGOW-UHFFFAOYSA-N
XLogP2.79
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
1-chloro-3-(3-nitro-5-pyridin-3-yloxyanilino)propan-2-ol
CID 168638117
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
1-chloro-3-[3-nitro-5-[3-(trifluoromethyl)phenoxy]anilino]propan-2-ol
CID 168639544
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
(1Z)-2-amino-2-imino-N-[3-[(3-nitro-2-pyridinyl)oxy]anilino]ethanimidoyl cyanide
CID 172979376
1-chloro-3-(4-methyl-3,5-dinitroanilino)propan-2-ol
CID 168638095
2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780053
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol (CID 168639978) is 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol is O=[N+]([O-])c1cccnc1Oc1cccc(NCC(O)CCl)c1.
What is the InChIKey of 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol?
The InChIKey is FGFJRXZWNIVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c15-8-11(19)9-17-10-3-1-4-12(7-10)22-14-13(18(20)21)5-2-6-16-14/h1-7,11,17,19H,8-9H2.
What are the key properties of 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol?
1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol has a molecular weight of 323.74 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol is sourced from PubChem (CID 168639978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).