3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide

C16H17ClF2N4O2 — CID 161054052

IUPAC3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCC(F)(F)COc1ncccc1Cl.NC(=O)c1nccc2c1CNC2
InChIInChI=1S/C8H8ClF2NO.C8H9N3O/c1-8(10,11)5-13-7-6(9)3-2-4-12-7;9-8(12)7-6-4-10-3-5(6)1-2-11-7/h2-4H,5H2,1H3;1-2,10H,3-4H2,(H2,9,12)
InChIKeyUCMXWMULWCNMHZ-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide

3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide (PubChem CID 161054052) has the molecular formula C16H17ClF2N4O2 and a molecular weight of 370.79 g/mol. Its IUPAC name is 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
PubChem CID161054052
Molecular FormulaC16H17ClF2N4O2
Molecular Weight370.79 g/mol
Exact Mass370.10
IUPAC Name3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
SMILESCC(F)(F)COc1ncccc1Cl.NC(=O)c1nccc2c1CNC2
InChIInChI=1S/C8H8ClF2NO.C8H9N3O/c1-8(10,11)5-13-7-6(9)3-2-4-12-7;9-8(12)7-6-4-10-3-5(6)1-2-11-7/h2-4H,5H2,1H3;1-2,10H,3-4H2,(H2,9,12)
InChIKeyUCMXWMULWCNMHZ-UHFFFAOYSA-N
XLogP2.55
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide (CID 161054052) is 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide is CC(F)(F)COc1ncccc1Cl.NC(=O)c1nccc2c1CNC2.
What is the InChIKey of 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
The InChIKey is UCMXWMULWCNMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO.C8H9N3O/c1-8(10,11)5-13-7-6(9)3-2-4-12-7;9-8(12)7-6-4-10-3-5(6)1-2-11-7/h2-4H,5H2,1H3;1-2,10H,3-4H2,(H2,9,12).
What are the key properties of 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide?
3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 161054052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).