(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone

C9H6BrClN4O — CID 106461754

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ncccc1Cl
InChIInChI=1S/C9H6BrClN4O/c1-15-7(9(10)13-14-15)8(16)6-5(11)3-2-4-12-6/h2-4H,1H3
InChIKeyUVWCITQOXRFUMJ-UHFFFAOYSA-N
MW301.53 g/mol
LogP1.86
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone (PubChem CID 106461754) has the molecular formula C9H6BrClN4O and a molecular weight of 301.53 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
PubChem CID106461754
Molecular FormulaC9H6BrClN4O
Molecular Weight301.53 g/mol
Exact Mass299.94
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1ncccc1Cl
InChIInChI=1S/C9H6BrClN4O/c1-15-7(9(10)13-14-15)8(16)6-5(11)3-2-4-12-6/h2-4H,1H3
InChIKeyUVWCITQOXRFUMJ-UHFFFAOYSA-N
XLogP1.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-fluorophenyl)methanone
CID 106461563
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
3-chloropyridine-2-carbonyl chloride
CID 45081497
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
2-anilino-1-(5-bromo-3-methyltriazol-4-yl)ethanone
CID 106464076
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464237

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone (CID 106461754) is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone is Cn1nnc(Br)c1C(=O)c1ncccc1Cl.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone?
The InChIKey is UVWCITQOXRFUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4O/c1-15-7(9(10)13-14-15)8(16)6-5(11)3-2-4-12-6/h2-4H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone has a molecular weight of 301.53 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 106461754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).