trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride

C10H10ClNO2 — CID 129244238

IUPACtrans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Cl)cn1
InChIInChI=1S/C10H10ClNO2/c1-14-9-3-2-6(5-12-9)7-4-8(7)10(11)13/h2-3,5,7-8H,4H2,1H3/t7-,8+/m0/s1
InChIKeyFMFVFNUEUMPWKR-JGVFFNPUSA-N
MW211.65 g/mol
LogP1.96
Rot. Bonds3

About trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride

trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride (PubChem CID 129244238) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
PubChem CID129244238
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Nametrans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Cl)cn1
InChIInChI=1S/C10H10ClNO2/c1-14-9-3-2-6(5-12-9)7-4-8(7)10(11)13/h2-3,5,7-8H,4H2,1H3/t7-,8+/m0/s1
InChIKeyFMFVFNUEUMPWKR-JGVFFNPUSA-N
XLogP1.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052
2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643889
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
CID 87545136
2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 114938524
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
5-cyclopentyl-2-methoxypyridine
CID 102520175
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride (CID 129244238) is trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride is COc1ccc([C@@H]2C[C@H]2C(=O)Cl)cn1.
What is the InChIKey of trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride?
The InChIKey is FMFVFNUEUMPWKR-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-9-3-2-6(5-12-9)7-4-8(7)10(11)13/h2-3,5,7-8H,4H2,1H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride?
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride has a molecular weight of 211.65 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 129244238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).