3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide

C14H14N4O3 — CID 62893728

IUPAC3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H14N4O3/c1-9-11(18(19)20)5-2-6-12(9)21-8-10-4-3-7-17-13(10)14(15)16/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyMBLSPVBDGJZMJM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.16
Rot. Bonds5

About 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide

3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62893728) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62893728
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C14H14N4O3/c1-9-11(18(19)20)5-2-6-12(9)21-8-10-4-3-7-17-13(10)14(15)16/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyMBLSPVBDGJZMJM-UHFFFAOYSA-N
XLogP2.16
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(4-bromo-2-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 55161907
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894922
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide (CID 62893728) is 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is MBLSPVBDGJZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-11(18(19)20)5-2-6-12(9)21-8-10-4-3-7-17-13(10)14(15)16/h2-7H,8H2,1H3,(H3,15,16).
What are the key properties of 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide?
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 286.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).