(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine

C11H12ClNO2 — CID 10585306

IUPAC(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine
SMILESC/C=C1\COCc2c1cc(Cl)nc2OC
InChIInChI=1S/C11H12ClNO2/c1-3-7-5-15-6-9-8(7)4-10(12)13-11(9)14-2/h3-4H,5-6H2,1-2H3/b7-3+
InChIKeyNBESTMKMEZSWAV-XVNBXDOJSA-N
MW225.67 g/mol
LogP2.68
Rot. Bonds1

About (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine

(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine (PubChem CID 10585306) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine.

Molecular Properties

Compound Name(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine
PubChem CID10585306
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine
SMILESC/C=C1\COCc2c1cc(Cl)nc2OC
InChIInChI=1S/C11H12ClNO2/c1-3-7-5-15-6-9-8(7)4-10(12)13-11(9)14-2/h3-4H,5-6H2,1-2H3/b7-3+
InChIKeyNBESTMKMEZSWAV-XVNBXDOJSA-N
XLogP2.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.68
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-4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidine;ethane
CID 172576438
3-(but-2-enoxymethyl)-4-iodo-2-methoxy-6-methylpyridine;4-ethylidene-8-methoxy-6-methyl-1H-pyrano[3,4-c]pyridine;4-ethyl-8-methoxy-6-methyl-1H-pyrano[3,4-c]pyridine
CID 159338655
4,6-dichloro-8-methoxypyrido[3,4-d]pyrimidine
CID 170323984
6-chloro-3-iodo-2-methoxypyridin-4-amine
CID 162736407
2,4-dichloro-6-methoxypyridine
CID 59872472
2-chloro-4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
CID 105468148
6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine
CID 11076111
3-chloro-2,6-dimethoxypyridin-4-amine
CID 169292016
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
CID 174144733
1-[(7S)-3-chloro-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]azetidin-3-ol
CID 167338386
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
4-(6-chloro-2-methoxy-3-pyridinyl)pyridazine
CID 177188668

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine?
The IUPAC name of (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine (CID 10585306) is (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine.
What is the SMILES notation for (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine?
The canonical SMILES for (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine is C/C=C1\COCc2c1cc(Cl)nc2OC.
What is the InChIKey of (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine?
The InChIKey is NBESTMKMEZSWAV-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-3-7-5-15-6-9-8(7)4-10(12)13-11(9)14-2/h3-4H,5-6H2,1-2H3/b7-3+.
What are the key properties of (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine?
(4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine has a molecular weight of 225.67 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-4-ethylidene-8-methoxy-1H-pyrano[3,4-c]pyridine is sourced from PubChem (CID 10585306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).