(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

C17H13ClFN5O — CID 90409749

IUPAC(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2ccccn2)C1
InChIInChI=1S/C17H13ClFN5O/c18-11-4-5-12(13(19)9-11)17(25)23-8-6-15-14(10-23)21-22-24(15)16-3-1-2-7-20-16/h1-5,7,9H,6,8,10H2
InChIKeyIVLGRNZGYCOGBS-UHFFFAOYSA-N
MW357.78 g/mol
LogP2.65
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone

(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 90409749) has the molecular formula C17H13ClFN5O and a molecular weight of 357.78 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID90409749
Molecular FormulaC17H13ClFN5O
Molecular Weight357.78 g/mol
Exact Mass357.08
IUPAC Name(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2ccccn2)C1
InChIInChI=1S/C17H13ClFN5O/c18-11-4-5-12(13(19)9-11)17(25)23-8-6-15-14(10-23)21-22-24(15)16-3-1-2-7-20-16/h1-5,7,9H,6,8,10H2
InChIKeyIVLGRNZGYCOGBS-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone (CID 90409749) is (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc(Cl)cc1F)N1CCc2c(nnn2-c2ccccn2)C1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is IVLGRNZGYCOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5O/c18-11-4-5-12(13(19)9-11)17(25)23-8-6-15-14(10-23)21-22-24(15)16-3-1-2-7-20-16/h1-5,7,9H,6,8,10H2.
What are the key properties of (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone?
(4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 357.78 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 90409749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).