[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine

C14H14FN3O3 — CID 115980216

IUPAC[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(CN)n1
InChIInChI=1S/C14H14FN3O3/c1-9-2-3-14(13(7-16)17-9)21-8-10-4-11(15)6-12(5-10)18(19)20/h2-6H,7-8,16H2,1H3
InChIKeyODOXXWMWBFHQMP-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.48
Rot. Bonds5

About [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine

[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine (PubChem CID 115980216) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
PubChem CID115980216
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(CN)n1
InChIInChI=1S/C14H14FN3O3/c1-9-2-3-14(13(7-16)17-9)21-8-10-4-11(15)6-12(5-10)18(19)20/h2-6H,7-8,16H2,1H3
InChIKeyODOXXWMWBFHQMP-UHFFFAOYSA-N
XLogP2.48
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
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

3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
1-[(3-fluoro-5-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432395
4-(bromomethyl)-2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]benzene
CID 107691619
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
2-ethyl-3-(3-fluoro-5-nitrophenoxy)-6-methylpyridine
CID 103174627
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzaldehyde
CID 107689434
3-[(3-bromo-5-fluorophenyl)methoxy]-2-(bromomethyl)-6-methylpyridine
CID 79705713

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine (CID 115980216) is [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine is Cc1ccc(OCc2cc(F)cc([N+](=O)[O-])c2)c(CN)n1.
What is the InChIKey of [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The InChIKey is ODOXXWMWBFHQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9-2-3-14(13(7-16)17-9)21-8-10-4-11(15)6-12(5-10)18(19)20/h2-6H,7-8,16H2,1H3.
What are the key properties of [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine has a molecular weight of 291.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 115980216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).