(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine

C8H11ClN2O — CID 130691517

IUPAC(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C)c(CN)nc1Cl
InChIInChI=1S/C8H11ClN2O/c1-5-3-7(12-2)8(9)11-6(5)4-10/h3H,4,10H2,1-2H3
InChIKeyOHZHZTVAEQZNEC-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.51
Rot. Bonds2

About (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine

(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine (PubChem CID 130691517) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
PubChem CID130691517
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
SMILESCOc1cc(C)c(CN)nc1Cl
InChIInChI=1S/C8H11ClN2O/c1-5-3-7(12-2)8(9)11-6(5)4-10/h3H,4,10H2,1-2H3
InChIKeyOHZHZTVAEQZNEC-UHFFFAOYSA-N
XLogP1.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
CID 118831411
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
CID 82242202
(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
CID 82396051
2,7-dichloro-6-methoxy-3-methylquinoline
CID 28809488
2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
2-chloro-5-[(2-chloro-5-methoxy-3,6-dimethylphenyl)methoxy]pyrimidine
CID 90163976
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine?
The IUPAC name of (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine (CID 130691517) is (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine is COc1cc(C)c(CN)nc1Cl.
What is the InChIKey of (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine?
The InChIKey is OHZHZTVAEQZNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5-3-7(12-2)8(9)11-6(5)4-10/h3H,4,10H2,1-2H3.
What are the key properties of (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine?
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine has a molecular weight of 186.64 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 130691517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).