5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)

C15H25FN2 — CID 160915943

IUPAC5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.Fc1cnc2[nH]ccc2c1
InChIInChI=1S/C7H5FN2.2C4H10/c8-6-3-5-1-2-9-7(5)10-4-6;2*1-4(2)3/h1-4H,(H,9,10);2*4H,1-3H3
InChIKeySRKCDZKMXUKCMB-UHFFFAOYSA-N
MW252.38 g/mol
LogP5.03
Rot. Bonds

About 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)

5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane) (PubChem CID 160915943) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane).

Molecular Properties

Compound Name5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
PubChem CID160915943
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.Fc1cnc2[nH]ccc2c1
InChIInChI=1S/C7H5FN2.2C4H10/c8-6-3-5-1-2-9-7(5)10-4-6;2*1-4(2)3/h1-4H,(H,9,10);2*4H,1-3H3
InChIKeySRKCDZKMXUKCMB-UHFFFAOYSA-N
XLogP5.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-deuterio-5-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 175994160
5-bromo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
CID 157428785
1H-pyrrolo[2,3-b]pyridin-5-ol;tri(propan-2-yl)silane
CID 157459974
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
CID 71763569
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
3-fluoro-7H-1,7-naphthyridin-8-one
CID 130866766
1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine
CID 55294161
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
CID 147597000

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)?
The IUPAC name of 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane) (CID 160915943) is 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane).
What is the SMILES notation for 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)?
The canonical SMILES for 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane) is CC(C)C.CC(C)C.Fc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)?
The InChIKey is SRKCDZKMXUKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2.2C4H10/c8-6-3-5-1-2-9-7(5)10-4-6;2*1-4(2)3/h1-4H,(H,9,10);2*4H,1-3H3.
What are the key properties of 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)?
5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane) has a molecular weight of 252.38 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane) is sourced from PubChem (CID 160915943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).