pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride

C10H12Cl2N2O2 — CID 56829440

IUPACpyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2.ClH/c11-7-1-4-13-9(5-7)10(14)15-8-2-3-12-6-8;/h1,4-5,8,12H,2-3,6H2;1H
InChIKeyFEAICCGHTUEXGO-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.68
Rot. Bonds2

About pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride

pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride (PubChem CID 56829440) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
PubChem CID56829440
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Namepyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
SMILESCl.O=C(OC1CCNC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2.ClH/c11-7-1-4-13-9(5-7)10(14)15-8-2-3-12-6-8;/h1,4-5,8,12H,2-3,6H2;1H
InChIKeyFEAICCGHTUEXGO-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-ylmethyl 4-chloropyridine-2-carboxylate;hydrochloride
CID 53409799
[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319361
pyrrolidin-3-yl pyridine-4-carboxylate;hydrochloride
CID 53409827
N-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 168757336
4-pyrrolidin-3-yloxypyridine-2-carboxamide;hydrochloride
CID 121206923
cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
azetidin-3-yl pyridine-2-carboxylate
CID 130016226
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
CID 150438541
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
pyrrolidin-3-yl 4-methoxybenzoate;hydrochloride
CID 53409824

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride?
The IUPAC name of pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride (CID 56829440) is pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride?
The canonical SMILES for pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride is Cl.O=C(OC1CCNC1)c1cc(Cl)ccn1.
What is the InChIKey of pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride?
The InChIKey is FEAICCGHTUEXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2.ClH/c11-7-1-4-13-9(5-7)10(14)15-8-2-3-12-6-8;/h1,4-5,8,12H,2-3,6H2;1H.
What are the key properties of pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride?
pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride has a molecular weight of 263.12 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 56829440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).