6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol

C13H12ClFN2O — CID 123630624

IUPAC6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol
SMILESCC=c1[nH]c(-c2nc(Cl)ccc2O)cc1=C(C)F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-8(7(2)15)6-10(16-9)13-11(18)4-5-12(14)17-13/h3-6,16,18H,1-2H3
InChIKeyGUJLJYUCPDMMDE-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.33
Rot. Bonds1

About 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol

6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol (PubChem CID 123630624) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol
PubChem CID123630624
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol
SMILESCC=c1[nH]c(-c2nc(Cl)ccc2O)cc1=C(C)F
InChIInChI=1S/C13H12ClFN2O/c1-3-9-8(7(2)15)6-10(16-9)13-11(18)4-5-12(14)17-13/h3-6,16,18H,1-2H3
InChIKeyGUJLJYUCPDMMDE-UHFFFAOYSA-N
XLogP2.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol?
The IUPAC name of 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol (CID 123630624) is 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol.
What is the SMILES notation for 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol?
The canonical SMILES for 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol is CC=c1[nH]c(-c2nc(Cl)ccc2O)cc1=C(C)F.
What is the InChIKey of 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol?
The InChIKey is GUJLJYUCPDMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-9-8(7(2)15)6-10(16-9)13-11(18)4-5-12(14)17-13/h3-6,16,18H,1-2H3.
What are the key properties of 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol?
6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol has a molecular weight of 266.70 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-ethylidene-4-(1-fluoroethylidene)-1H-pyrrol-2-yl]pyridin-3-ol is sourced from PubChem (CID 123630624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).