N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine

C19H12ClF2N3 — CID 90468413

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESFc1cccc(-c2cc3cnc(Nc4ccc(F)c(Cl)c4)cc3[nH]2)c1
InChIInChI=1S/C19H12ClF2N3/c20-15-8-14(4-5-16(15)22)24-19-9-18-12(10-23-19)7-17(25-18)11-2-1-3-13(21)6-11/h1-10,25H,(H,23,24)
InChIKeyLCJNAIJJSDNYFF-UHFFFAOYSA-N
MW355.78 g/mol
LogP5.91
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine

N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 90468413) has the molecular formula C19H12ClF2N3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID90468413
Molecular FormulaC19H12ClF2N3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESFc1cccc(-c2cc3cnc(Nc4ccc(F)c(Cl)c4)cc3[nH]2)c1
InChIInChI=1S/C19H12ClF2N3/c20-15-8-14(4-5-16(15)22)24-19-9-18-12(10-23-19)7-17(25-18)11-2-1-3-13(21)6-11/h1-10,25H,(H,23,24)
InChIKeyLCJNAIJJSDNYFF-UHFFFAOYSA-N
XLogP5.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.78
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 90468413) is N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine is Fc1cccc(-c2cc3cnc(Nc4ccc(F)c(Cl)c4)cc3[nH]2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is LCJNAIJJSDNYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3/c20-15-8-14(4-5-16(15)22)24-19-9-18-12(10-23-19)7-17(25-18)11-2-1-3-13(21)6-11/h1-10,25H,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 355.78 g/mol, XLogP of 5.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 90468413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).