[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol

C13H11F2N3O4 — CID 171496139

IUPAC[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OC(F)F)nc1Nc1ccc(CO)cc1
InChIInChI=1S/C13H11F2N3O4/c14-13(15)22-11-6-5-10(18(20)21)12(17-11)16-9-3-1-8(7-19)2-4-9/h1-6,13,19H,7H2,(H,16,17)
InChIKeyLNJZWHMPLPUZRY-UHFFFAOYSA-N
MW311.24 g/mol
LogP2.83
Rot. Bonds6

About [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol

[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol (PubChem CID 171496139) has the molecular formula C13H11F2N3O4 and a molecular weight of 311.24 g/mol. Its IUPAC name is [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
PubChem CID171496139
Molecular FormulaC13H11F2N3O4
Molecular Weight311.24 g/mol
Exact Mass311.07
IUPAC Name[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OC(F)F)nc1Nc1ccc(CO)cc1
InChIInChI=1S/C13H11F2N3O4/c14-13(15)22-11-6-5-10(18(20)21)12(17-11)16-9-3-1-8(7-19)2-4-9/h1-6,13,19H,7H2,(H,16,17)
InChIKeyLNJZWHMPLPUZRY-UHFFFAOYSA-N
XLogP2.83
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 52.83
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

[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate
CID 171494348
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate;ethane
CID 171494347
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330240
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoic acid
CID 115321182
methyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]benzoate
CID 171495729
6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 171495426
N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
CID 67312149
6-(4-ethylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403497
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708
2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
CID 80729028
6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol?
The IUPAC name of [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol (CID 171496139) is [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol.
What is the SMILES notation for [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol?
The canonical SMILES for [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol is O=[N+]([O-])c1ccc(OC(F)F)nc1Nc1ccc(CO)cc1.
What is the InChIKey of [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol?
The InChIKey is LNJZWHMPLPUZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4/c14-13(15)22-11-6-5-10(18(20)21)12(17-11)16-9-3-1-8(7-19)2-4-9/h1-6,13,19H,7H2,(H,16,17).
What are the key properties of [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol?
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol has a molecular weight of 311.24 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol is sourced from PubChem (CID 171496139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).