methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate

C11H13ClN2O2 — CID 62005497

IUPACmethyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O2/c1-16-11(15)9-3-2-6-14(9)10-5-4-8(12)7-13-10/h4-5,7,9H,2-3,6H2,1H3
InChIKeyBPYYZJRTLBTADQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.88
Rot. Bonds2

About methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate

methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 62005497) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID62005497
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Namemethyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(Cl)cn1
InChIInChI=1S/C11H13ClN2O2/c1-16-11(15)9-3-2-6-14(9)10-5-4-8(12)7-13-10/h4-5,7,9H,2-3,6H2,1H3
InChIKeyBPYYZJRTLBTADQ-UHFFFAOYSA-N
XLogP1.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinecarboxylate
CID 2775333
1H-Pyrazole-5-carboxylic acid, 3-bromo-1-(3-chloro-2-pyridinyl)-4,5-dihydro-, ethyl ester
CID 10065383
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid
CID 16783464
3-chloro-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 84586634
Methyl 2-acetamido-2-[(5-chloropyridin-2-yl)amino]-3,3,3-trifluoropropanoate
CID 540589
(2S)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid
CID 5304877
2-[(5-Chloropyridin-2-yl)(methyl)amino]acetic acid hydrochloride
CID 122164112
Methyl 5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoate
CID 86817135
(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-oxopyrrolidine-2-carboxylic acid
CID 67774754
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-oxopyrrolidine-2-carboxylic acid
CID 67774769
(2S)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 67775751
1-(5-Chloro-3-fluoro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 67775755

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate (CID 62005497) is methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1ccc(Cl)cn1.
What is the InChIKey of methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is BPYYZJRTLBTADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-11(15)9-3-2-6-14(9)10-5-4-8(12)7-13-10/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate?
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).