1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine

C9H8F2N2 — CID 153402378

IUPAC1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(ccn2C(F)F)c1
InChIInChI=1S/C9H8F2N2/c1-6-4-7-2-3-13(9(10)11)8(7)12-5-6/h2-5,9H,1H3
InChIKeyOUHGOTQMBULPSD-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.74
Rot. Bonds1

About 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine

1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine (PubChem CID 153402378) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
PubChem CID153402378
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(ccn2C(F)F)c1
InChIInChI=1S/C9H8F2N2/c1-6-4-7-2-3-13(9(10)11)8(7)12-5-6/h2-5,9H,1H3
InChIKeyOUHGOTQMBULPSD-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-amine
CID 170000384
5-fluoro-1-[(1S)-1-iodoethyl]pyrrolo[2,3-b]pyridine
CID 174031450
butan-2-yl-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-di(propan-2-yl)silane
CID 123969876
2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 117223851
5-methyl-1-piperidin-4-ylpyrrolo[2,3-b]pyridine
CID 117223788
1-(5-bromopyrrolo[2,3-b]pyridin-1-yl)-N-methylethanamine
CID 117223825
2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine
CID 177234906
3,8-dimethyl-1,10-phenanthroline
CID 159392628
5-(5-methylpyrrolo[2,3-b]pyridin-1-yl)-1H-pyrazole-4-carbaldehyde
CID 91582903
N-[2-[4-[2-(butylamino)ethylamino]phenyl]ethyl]-1-(difluoromethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 168959293
2-chloro-3,6-dimethylimidazo[4,5-b]pyridine
CID 14929597
1-ethenyl-3-fluoropyrrolidine;5-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridine
CID 176715676

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine (CID 153402378) is 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine is Cc1cnc2c(ccn2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine?
The InChIKey is OUHGOTQMBULPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-6-4-7-2-3-13(9(10)11)8(7)12-5-6/h2-5,9H,1H3.
What are the key properties of 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine?
1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine has a molecular weight of 182.17 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).