3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine

C10H13ClN2 — CID 115008960

IUPAC3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
SMILESClc1cncc(CC2CCCN2)c1
InChIInChI=1S/C10H13ClN2/c11-9-4-8(6-12-7-9)5-10-2-1-3-13-10/h4,6-7,10,13H,1-3,5H2
InChIKeyFKMBQGZNVQFPAD-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.03
Rot. Bonds2

About 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine

3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine (PubChem CID 115008960) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
PubChem CID115008960
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
SMILESClc1cncc(CC2CCCN2)c1
InChIInChI=1S/C10H13ClN2/c11-9-4-8(6-12-7-9)5-10-2-1-3-13-10/h4,6-7,10,13H,1-3,5H2
InChIKeyFKMBQGZNVQFPAD-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
CID 84678128
2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
3-chloro-5-(oxan-2-ylmethyl)pyridine
CID 57321336
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
1-[2-chloro-4-(pyrrolidin-2-ylmethyl)phenyl]-1,2,4-triazole
CID 117411512

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine?
The IUPAC name of 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine (CID 115008960) is 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine.
What is the SMILES notation for 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine?
The canonical SMILES for 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine is Clc1cncc(CC2CCCN2)c1.
What is the InChIKey of 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine?
The InChIKey is FKMBQGZNVQFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c11-9-4-8(6-12-7-9)5-10-2-1-3-13-10/h4,6-7,10,13H,1-3,5H2.
What are the key properties of 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine?
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine has a molecular weight of 196.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine is sourced from PubChem (CID 115008960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).