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

C14H14ClN3O3 — CID 79156359

IUPAC[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)n1
InChIInChI=1S/C14H14ClN3O3/c1-9-5-6-14(12(7-16)17-9)21-8-10-11(15)3-2-4-13(10)18(19)20/h2-6H,7-8,16H2,1H3
InChIKeyNXWFHZUSBJAMMP-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.99
Rot. Bonds5

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

[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine (PubChem CID 79156359) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
PubChem CID79156359
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)n1
InChIInChI=1S/C14H14ClN3O3/c1-9-5-6-14(12(7-16)17-9)21-8-10-11(15)3-2-4-13(10)18(19)20/h2-6H,7-8,16H2,1H3
InChIKeyNXWFHZUSBJAMMP-UHFFFAOYSA-N
XLogP2.99
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.99
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

[2-[(2-chloro-6-nitrophenyl)methoxy]-5-methylphenyl]methanamine
CID 63745768
[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine
CID 79156356
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
1-chloro-2-[(2-fluoro-5-methylphenoxy)methyl]-3-nitrobenzene
CID 64854337
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
3-chloro-4-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 63746153
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-1-chloro-3-nitrobenzene
CID 107691546
4-chloro-2-[(2-chloro-6-nitrophenyl)methoxy]benzonitrile
CID 114322777
2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine (CID 79156359) is [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine is Cc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])c(CN)n1.
What is the InChIKey of [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
The InChIKey is NXWFHZUSBJAMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9-5-6-14(12(7-16)17-9)21-8-10-11(15)3-2-4-13(10)18(19)20/h2-6H,7-8,16H2,1H3.
What are the key properties of [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine?
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine has a molecular weight of 307.74 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 79156359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).