3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C11H6ClFN4 — CID 167213939

IUPAC3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc(Cl)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C11H6ClFN4/c12-11-16-5-8(13)9(17-11)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)
InChIKeyRMFZHBIKKNTJME-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.81
Rot. Bonds1

About 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167213939) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID167213939
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cnc(Cl)nc1-c1c[nH]c2ncccc12
InChIInChI=1S/C11H6ClFN4/c12-11-16-5-8(13)9(17-11)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15)
InChIKeyRMFZHBIKKNTJME-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
4-(2-chloro-5-fluoropyrimidin-4-yl)isoquinoline
CID 79080109
5-bromo-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 127049686
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
cis-(1R,2S)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 67290942
3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole
CID 145444309
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
CID 174781441
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
8-(2-chloro-5-fluoropyrimidin-4-yl)-11-oxa-1,3-diazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 122666927

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 167213939) is 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is Fc1cnc(Cl)nc1-c1c[nH]c2ncccc12.
What is the InChIKey of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RMFZHBIKKNTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-11-16-5-8(13)9(17-11)7-4-15-10-6(7)2-1-3-14-10/h1-5H,(H,14,15).
What are the key properties of 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 248.65 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167213939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).