1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine

C14H14ClN3O3 — CID 79781811

IUPAC1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14ClN3O3/c1-16-7-10-5-6-11(8-17-10)21-9-12-13(15)3-2-4-14(12)18(19)20/h2-6,8,16H,7,9H2,1H3
InChIKeyFLEXQPCXWMXFBO-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.94
Rot. Bonds6

About 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine

1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 79781811) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID79781811
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14ClN3O3/c1-16-7-10-5-6-11(8-17-10)21-9-12-13(15)3-2-4-14(12)18(19)20/h2-6,8,16H,7,9H2,1H3
InChIKeyFLEXQPCXWMXFBO-UHFFFAOYSA-N
XLogP2.94
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.94
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

1-chloro-3-nitro-2-(phenoxymethyl)benzene
CID 64765077
1-[4-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanamine
CID 63746767
3-[(2-chloro-6-nitrophenyl)methoxy]benzaldehyde
CID 60722583
1-[2-chloro-6-(2-methyl-3-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032203
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-3-nitrobenzene
CID 83232062
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
CID 63746291
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
1-chloro-3-(chloromethyl)-2-[(2-chloro-6-nitrophenyl)methoxy]benzene
CID 115956582
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine (CID 79781811) is 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine is CNCc1ccc(OCc2c(Cl)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is FLEXQPCXWMXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-16-7-10-5-6-11(8-17-10)21-9-12-13(15)3-2-4-14(12)18(19)20/h2-6,8,16H,7,9H2,1H3.
What are the key properties of 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine?
1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 307.74 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79781811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).