1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine

C11H12ClNO — CID 91605725

IUPAC1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine
SMILESCOc1cnc(Cl)c2c1=CCCCC=2
InChIInChI=1S/C11H12ClNO/c1-14-10-7-13-11(12)9-6-4-2-3-5-8(9)10/h5-7H,2-4H2,1H3
InChIKeyGDZIHKJXFDPAMV-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.49
Rot. Bonds1

About 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine

1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine (PubChem CID 91605725) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine
PubChem CID91605725
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine
SMILESCOc1cnc(Cl)c2c1=CCCCC=2
InChIInChI=1S/C11H12ClNO/c1-14-10-7-13-11(12)9-6-4-2-3-5-8(9)10/h5-7H,2-4H2,1H3
InChIKeyGDZIHKJXFDPAMV-UHFFFAOYSA-N
XLogP1.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 141356822
2-chloro-3-methoxy-5-methylpyridine
CID 46318108
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CID 86717818
2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
CID 119010666
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
7-chloro-4-methoxy-1,2-dihydropyrrolo[2,3-c]pyridin-2-ylium
CID 59279410
4-chloro-5-methoxy-2,3-dimethylpyridine
CID 123946881
6-chloro-5-methoxy-N-piperidin-1-ylpyridin-3-amine
CID 54001708
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
(6-chloro-5-methoxy-3-pyridinyl)methanol
CID 59297074
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine?
The IUPAC name of 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine (CID 91605725) is 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine.
What is the SMILES notation for 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine?
The canonical SMILES for 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine is COc1cnc(Cl)c2c1=CCCCC=2.
What is the InChIKey of 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine?
The InChIKey is GDZIHKJXFDPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-14-10-7-13-11(12)9-6-4-2-3-5-8(9)10/h5-7H,2-4H2,1H3.
What are the key properties of 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine?
1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine has a molecular weight of 209.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-7,8-dihydro-6H-cyclohepta[c]pyridine is sourced from PubChem (CID 91605725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).