4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine

C12H13ClN2O — CID 106535647

IUPAC4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
SMILESClCC1CCN(c2nccc3occc23)C1
InChIInChI=1S/C12H13ClN2O/c13-7-9-2-5-15(8-9)12-10-3-6-16-11(10)1-4-14-12/h1,3-4,6,9H,2,5,7-8H2
InChIKeyCGXVNCBATWUKJE-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.89
Rot. Bonds2

About 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine

4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine (PubChem CID 106535647) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
PubChem CID106535647
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
SMILESClCC1CCN(c2nccc3occc23)C1
InChIInChI=1S/C12H13ClN2O/c13-7-9-2-5-15(8-9)12-10-3-6-16-11(10)1-4-14-12/h1,3-4,6,9H,2,5,7-8H2
InChIKeyCGXVNCBATWUKJE-UHFFFAOYSA-N
XLogP2.89
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
4-(3-bromopyrrolidin-1-yl)furo[3,2-c]pyridine
CID 106535691
4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
CID 106535762
1-furo[3,2-c]pyridin-4-yl-N-methylpyrrolidin-3-amine
CID 106535363
4-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 97120477
4-[(3R)-3-methylpiperazin-1-yl]furo[3,2-c]pyridine
CID 106535397
4-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]furo[3,2-c]pyridine
CID 138039104
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 106535576
(3R)-N-ethyl-1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-sulfonamide
CID 97158066
4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 155974905
methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
CID 103702822
4-(2,6-dimethylmorpholin-4-yl)furo[3,2-c]pyridine
CID 123630821

Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine (CID 106535647) is 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine is ClCC1CCN(c2nccc3occc23)C1.
What is the InChIKey of 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine?
The InChIKey is CGXVNCBATWUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-7-9-2-5-15(8-9)12-10-3-6-16-11(10)1-4-14-12/h1,3-4,6,9H,2,5,7-8H2.
What are the key properties of 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine?
4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine has a molecular weight of 236.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 106535647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).