methyl 3-chloro-2H-pyridine-1-carboxylate

C7H8ClNO2 — CID 173300545

IUPACmethyl 3-chloro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=C(Cl)C1
InChIInChI=1S/C7H8ClNO2/c1-11-7(10)9-4-2-3-6(8)5-9/h2-4H,5H2,1H3
InChIKeyFTMCAAKIWYHTJZ-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.70
Rot. Bonds

About methyl 3-chloro-2H-pyridine-1-carboxylate

methyl 3-chloro-2H-pyridine-1-carboxylate (PubChem CID 173300545) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is methyl 3-chloro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2H-pyridine-1-carboxylate
PubChem CID173300545
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Namemethyl 3-chloro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CC=C(Cl)C1
InChIInChI=1S/C7H8ClNO2/c1-11-7(10)9-4-2-3-6(8)5-9/h2-4H,5H2,1H3
InChIKeyFTMCAAKIWYHTJZ-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 3-chloro-2H-pyridine-1-carboxylate (CID 173300545) is methyl 3-chloro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-chloro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 3-chloro-2H-pyridine-1-carboxylate is COC(=O)N1C=CC=C(Cl)C1.
What is the InChIKey of methyl 3-chloro-2H-pyridine-1-carboxylate?
The InChIKey is FTMCAAKIWYHTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-11-7(10)9-4-2-3-6(8)5-9/h2-4H,5H2,1H3.
What are the key properties of methyl 3-chloro-2H-pyridine-1-carboxylate?
methyl 3-chloro-2H-pyridine-1-carboxylate has a molecular weight of 173.60 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 173300545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).