2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine

C12H11ClN2O — CID 139512366

IUPAC2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
SMILESCOc1ccc(Cc2ccc(Cl)nc2)cn1
InChIInChI=1S/C12H11ClN2O/c1-16-12-5-3-10(8-15-12)6-9-2-4-11(13)14-7-9/h2-5,7-8H,6H2,1H3
InChIKeyBVIYHLFZCCHTAY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine

2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine (PubChem CID 139512366) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
PubChem CID139512366
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
SMILESCOc1ccc(Cc2ccc(Cl)nc2)cn1
InChIInChI=1S/C12H11ClN2O/c1-16-12-5-3-10(8-15-12)6-9-2-4-11(13)14-7-9/h2-5,7-8H,6H2,1H3
InChIKeyBVIYHLFZCCHTAY-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(methoxymethyl)pyridine
CID 19010921
5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
CID 175294527
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929
4-[(6-methoxy-3-pyridinyl)methyl]-2-methylbenzoic acid
CID 175238679
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole
CID 102618449
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
3-(5-chloropyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 134436290
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine (CID 139512366) is 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine is COc1ccc(Cc2ccc(Cl)nc2)cn1.
What is the InChIKey of 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine?
The InChIKey is BVIYHLFZCCHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-12-5-3-10(8-15-12)6-9-2-4-11(13)14-7-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine?
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine has a molecular weight of 234.69 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 139512366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).