4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole

C14H7ClF3N5 — CID 15767453

IUPAC4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole
SMILES[N-]=[N+]=Nc1cccc2c1ccn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7ClF3N5/c15-10-6-8(14(16,17)18)7-20-13(10)23-5-4-9-11(21-22-19)2-1-3-12(9)23/h1-7H
InChIKeyLONIBIOSROBZDD-UHFFFAOYSA-N
MW337.69 g/mol
LogP5.64
Rot. Bonds2

About 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole

4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole (PubChem CID 15767453) has the molecular formula C14H7ClF3N5 and a molecular weight of 337.69 g/mol. Its IUPAC name is 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole.

Molecular Properties

Compound Name4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole
PubChem CID15767453
Molecular FormulaC14H7ClF3N5
Molecular Weight337.69 g/mol
Exact Mass337.03
IUPAC Name4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole
SMILES[N-]=[N+]=Nc1cccc2c1ccn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H7ClF3N5/c15-10-6-8(14(16,17)18)7-20-13(10)23-5-4-9-11(21-22-19)2-1-3-12(9)23/h1-7H
InChIKeyLONIBIOSROBZDD-UHFFFAOYSA-N
XLogP5.64
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.69
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine
CID 14727765
4-(6-fluoro-1H-indol-1-yl)pyrimidin-2-amine
CID 68388345
4-(6-Chloroindol-1-yl)pyrimidin-2-amine
CID 68388404
Mao-B-IN-4
CID 168290376
4-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-3-buten-2-one
CID 11958802
4-(6-Chloropyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
CID 71580828
4-[3-(2-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580913
4-[3-(3-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580914
4-[3-(4-Chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
CID 71580915
1-[(4-Chlorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168275032
1-[(2-Chlorophenyl)methyl]-4-(4,4-difluoropiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168286942
1-[(3-Chlorophenyl)methyl]-4-piperidin-1-ylpyrrolo[3,2-c]quinoline
CID 168287007

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole?
The IUPAC name of 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole (CID 15767453) is 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole.
What is the SMILES notation for 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole?
The canonical SMILES for 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole is [N-]=[N+]=Nc1cccc2c1ccn2-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole?
The InChIKey is LONIBIOSROBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N5/c15-10-6-8(14(16,17)18)7-20-13(10)23-5-4-9-11(21-22-19)2-1-3-12(9)23/h1-7H.
What are the key properties of 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole?
4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole has a molecular weight of 337.69 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole is sourced from PubChem (CID 15767453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).