5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C12H9FN4 — CID 141299053

IUPAC5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(Cc3cncnc3)c2c1
InChIInChI=1S/C12H9FN4/c13-10-2-11-9(5-16-12(11)17-6-10)1-8-3-14-7-15-4-8/h2-7H,1H2,(H,16,17)
InChIKeyKVXJHTXRSXGBGB-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.08
Rot. Bonds2

About 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141299053) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141299053
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc2[nH]cc(Cc3cncnc3)c2c1
InChIInChI=1S/C12H9FN4/c13-10-2-11-9(5-16-12(11)17-6-10)1-8-3-14-7-15-4-8/h2-7H,1H2,(H,16,17)
InChIKeyKVXJHTXRSXGBGB-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(5-methyl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 141299037
5-[(5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine
CID 67200996
3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58258906
5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58485878
5-methyl-3-[[2-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58485887
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
N-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 25024887
2-[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 142463019
5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591499
5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442053

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 141299053) is 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]cc(Cc3cncnc3)c2c1.
What is the InChIKey of 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KVXJHTXRSXGBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-10-2-11-9(5-16-12(11)17-6-10)1-8-3-14-7-15-4-8/h2-7H,1H2,(H,16,17).
What are the key properties of 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 228.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(pyrimidin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141299053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).