3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine

C14H14F2N2O3 — CID 129114740

IUPAC3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine
SMILESCOCOCc1nc(OC)ccc1-c1ncc(F)cc1F
InChIInChI=1S/C14H14F2N2O3/c1-19-8-21-7-12-10(3-4-13(18-12)20-2)14-11(16)5-9(15)6-17-14/h3-6H,7-8H2,1-2H3
InChIKeyPPFCAFCIHISRDO-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.55
Rot. Bonds6

About 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine

3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine (PubChem CID 129114740) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine
PubChem CID129114740
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine
SMILESCOCOCc1nc(OC)ccc1-c1ncc(F)cc1F
InChIInChI=1S/C14H14F2N2O3/c1-19-8-21-7-12-10(3-4-13(18-12)20-2)14-11(16)5-9(15)6-17-14/h3-6H,7-8H2,1-2H3
InChIKeyPPFCAFCIHISRDO-UHFFFAOYSA-N
XLogP2.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
CID 140786799
5-fluoro-3-(6-methoxy-2-methyl-3-pyridinyl)-N-propylpyridin-2-amine
CID 171849956
3-bromo-6-methoxy-2-(methoxymethoxymethyl)pyridine;[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
CID 159407812
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
CID 90084661
2-(2,4-difluorophenyl)-4-methoxypyrimidine
CID 141051307
6-fluoro-2-methoxyindeno[2,3-b]pyridin-9-one
CID 155039769
2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
CID 123762675
2-methoxy-7-methylpyrido[3,2-g]quinoline-5,10-dione
CID 71345234
2-[6-(2,4-difluorophenyl)-2-pyridinyl]-3,5-difluoropyridine
CID 58640778
2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol
CID 159259193
5-(methoxymethoxymethyl)-2-methylpyridine
CID 10844808

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine?
The IUPAC name of 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine (CID 129114740) is 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine is COCOCc1nc(OC)ccc1-c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine?
The InChIKey is PPFCAFCIHISRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-19-8-21-7-12-10(3-4-13(18-12)20-2)14-11(16)5-9(15)6-17-14/h3-6H,7-8H2,1-2H3.
What are the key properties of 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine?
3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine has a molecular weight of 296.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 129114740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).