1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride

C11H11ClN2O2 — CID 175108677

IUPAC1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESCc1ccc(NC(=O)C2(C(=O)Cl)CC2)cn1
InChIInChI=1S/C11H11ClN2O2/c1-7-2-3-8(6-13-7)14-10(16)11(4-5-11)9(12)15/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyYKJXMOCBILRLHW-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.87
Rot. Bonds3

About 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride

1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride (PubChem CID 175108677) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride
PubChem CID175108677
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESCc1ccc(NC(=O)C2(C(=O)Cl)CC2)cn1
InChIInChI=1S/C11H11ClN2O2/c1-7-2-3-8(6-13-7)14-10(16)11(4-5-11)9(12)15/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyYKJXMOCBILRLHW-UHFFFAOYSA-N
XLogP1.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-methyl-2-(1-methylcyclohexyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 176914251
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
CID 144702320
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-carbamothioyl-N-(6-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 80590260
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride (CID 175108677) is 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride is Cc1ccc(NC(=O)C2(C(=O)Cl)CC2)cn1.
What is the InChIKey of 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The InChIKey is YKJXMOCBILRLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-2-3-8(6-13-7)14-10(16)11(4-5-11)9(12)15/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride?
1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 175108677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).