methyl N-(3-chloro-2-pyridinyl)carbamate

C7H7ClN2O2 — CID 103094493

IUPACmethyl N-(3-chloro-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ncccc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)10-6-5(8)3-2-4-9-6/h2-4H,1H3,(H,9,10,11)
InChIKeyPCHOTOXMZMUVMR-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.91
Rot. Bonds1

About methyl N-(3-chloro-2-pyridinyl)carbamate

methyl N-(3-chloro-2-pyridinyl)carbamate (PubChem CID 103094493) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is methyl N-(3-chloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-chloro-2-pyridinyl)carbamate
PubChem CID103094493
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Namemethyl N-(3-chloro-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ncccc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)10-6-5(8)3-2-4-9-6/h2-4H,1H3,(H,9,10,11)
InChIKeyPCHOTOXMZMUVMR-UHFFFAOYSA-N
XLogP1.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
ethyl N-[(3-chloro-2-pyridinyl)carbamothioyl]carbamate
CID 154638035
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
2-amino-N-(3-chloro-2-pyridinyl)-3-methoxybenzamide
CID 103093876
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-chloro-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(3-chloro-2-pyridinyl)carbamate (CID 103094493) is methyl N-(3-chloro-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(3-chloro-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(3-chloro-2-pyridinyl)carbamate is COC(=O)Nc1ncccc1Cl.
What is the InChIKey of methyl N-(3-chloro-2-pyridinyl)carbamate?
The InChIKey is PCHOTOXMZMUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-12-7(11)10-6-5(8)3-2-4-9-6/h2-4H,1H3,(H,9,10,11).
What are the key properties of methyl N-(3-chloro-2-pyridinyl)carbamate?
methyl N-(3-chloro-2-pyridinyl)carbamate has a molecular weight of 186.60 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-chloro-2-pyridinyl)carbamate is sourced from PubChem (CID 103094493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).