2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol

C12H15FN2O — CID 123483797

IUPAC2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol
SMILESCCc1cn(C(C)CO)c2c(F)cncc12
InChIInChI=1S/C12H15FN2O/c1-3-9-6-15(8(2)7-16)12-10(9)4-14-5-11(12)13/h4-6,8,16H,3,7H2,1-2H3
InChIKeyLTBYBVBWKHWZII-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol

2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol (PubChem CID 123483797) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol
PubChem CID123483797
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol
SMILESCCc1cn(C(C)CO)c2c(F)cncc12
InChIInChI=1S/C12H15FN2O/c1-3-9-6-15(8(2)7-16)12-10(9)4-14-5-11(12)13/h4-6,8,16H,3,7H2,1-2H3
InChIKeyLTBYBVBWKHWZII-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropylpyrazol-1-yl)-N-[5-[7-fluoro-1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
CID 121231348
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 139383710
6,7,8-trifluoro-1-[(2S)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 22840174
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
(3,5-difluoro-4-pyridinyl)methyl methanesulfinate
CID 130348869
N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 121231232
3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
CID 138466467
4-[(2S)-1-hydroxypropan-2-yl]-1H-1,2,4-triazol-5-one
CID 107410787
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
1-butan-2-yl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 82252176
2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638135

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol?
The IUPAC name of 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol (CID 123483797) is 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol?
The canonical SMILES for 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol is CCc1cn(C(C)CO)c2c(F)cncc12.
What is the InChIKey of 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol?
The InChIKey is LTBYBVBWKHWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-9-6-15(8(2)7-16)12-10(9)4-14-5-11(12)13/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol?
2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 123483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).