6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine

C14H7ClF4N2 — CID 167147099

IUPAC6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESFc1cc(-c2cc3cnc(Cl)cc3[nH]2)c(C(F)F)cc1F
InChIInChI=1S/C14H7ClF4N2/c15-13-4-11-6(5-20-13)1-12(21-11)7-2-9(16)10(17)3-8(7)14(18)19/h1-5,14,21H
InChIKeyVOYMSYNFUQJVQO-UHFFFAOYSA-N
MW314.67 g/mol
LogP5.10
Rot. Bonds2

About 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine

6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 167147099) has the molecular formula C14H7ClF4N2 and a molecular weight of 314.67 g/mol. Its IUPAC name is 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID167147099
Molecular FormulaC14H7ClF4N2
Molecular Weight314.67 g/mol
Exact Mass314.02
IUPAC Name6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESFc1cc(-c2cc3cnc(Cl)cc3[nH]2)c(C(F)F)cc1F
InChIInChI=1S/C14H7ClF4N2/c15-13-4-11-6(5-20-13)1-12(21-11)7-2-9(16)10(17)3-8(7)14(18)19/h1-5,14,21H
InChIKeyVOYMSYNFUQJVQO-UHFFFAOYSA-N
XLogP5.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine (CID 167147099) is 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine is Fc1cc(-c2cc3cnc(Cl)cc3[nH]2)c(C(F)F)cc1F.
What is the InChIKey of 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is VOYMSYNFUQJVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2/c15-13-4-11-6(5-20-13)1-12(21-11)7-2-9(16)10(17)3-8(7)14(18)19/h1-5,14,21H.
What are the key properties of 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine?
6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 314.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167147099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).