4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine

C12H12ClN3O — CID 64601208

IUPAC4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(COc2cncc(Cl)c2)ccn1
InChIInChI=1S/C12H12ClN3O/c1-14-12-4-9(2-3-16-12)8-17-11-5-10(13)6-15-7-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyHPDOAIFRLDGLOQ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine

4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine (PubChem CID 64601208) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
PubChem CID64601208
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(COc2cncc(Cl)c2)ccn1
InChIInChI=1S/C12H12ClN3O/c1-14-12-4-9(2-3-16-12)8-17-11-5-10(13)6-15-7-11/h2-7H,8H2,1H3,(H,14,16)
InChIKeyHPDOAIFRLDGLOQ-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
N-methyl-4-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62463901
N-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206
4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
CID 64601565
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
CID 55075198
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
4-(cycloheptyloxymethyl)-N-methylpyridin-2-amine
CID 62464617
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 106698444
3-[(5-bromofuran-2-yl)methoxy]-5-chloropyridine
CID 130643811

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine (CID 64601208) is 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine is CNc1cc(COc2cncc(Cl)c2)ccn1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine?
The InChIKey is HPDOAIFRLDGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-14-12-4-9(2-3-16-12)8-17-11-5-10(13)6-15-7-11/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine?
4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 64601208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).